AG003JM5

92933-47-6 | 5-isopropyl-1H-pyrazole-3-carboxylic acid

AG003JM5

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CAS Number	92933-47-6
Catalog Number	AG003JM5(AGN-PC-0ONI12)
Chemical Name	5-isopropyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	5-propan-2-yl-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C7H10N2O2/c1-4(2)5-3-6(7(10)11)9-8-5/h3-4H,1-2H3,(H,8,9)(H,10,11)
InChI Key	CHWXKAHFWLSLOQ-UHFFFAOYSA-N
MDL Number	MFCD05170240
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	CC(C)C1=CC(=NN1)C(O)=O
Synonyms	5-isopropyl-1H-pyrazole-3-carboxylic acid, 92933-47-6, 5-Isopropyl-2H-pyrazole-3-carboxylic acid, 3-isopropyl-1H-pyrazole-5-carboxylic acid, 5-ISOPROPYLPYRAZOLE-3-CARBOXYLIC ACID, 3-(propan-2-yl)-1H-pyrazole-5-carboxylic acid, CHEMBL238002, 890590-91-7, CHWXKAHFWLSLOQ-UHFFFAOYSA-N, 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-, MFCD02224142, 5-isopropyl-1H-pyrazol-3-carboxylic acid, 5-(propan-2-yl)-1H-pyrazole-3-carboxylic acid, MFCD05170240, 3-(methylethyl)pyrazole-5-carboxylic acid, PubChem22754, BAS 15375081, ACMC-20cbo3, AC1LFDP2, AC1Q1OGL, AC1Q1OYW, AC1Q5UGZ, ChemDiv2_003364, Oprea1_070012, Oprea1_115867, MLS000067212, SCHEMBL1739326, 5-isopropyl-3-carboxyl-pyrazole, CTK5G2493, CTK5H1901, HMS1378I20, HMS2480B08, ACN-P001039, ALBB-005265, KS-00000K8K, ZINC5686012, 5-isopropylpyrazol-3-carboxylic acid, BBL008246, BDBM50211363, FC0632, SBB010346, STK501183, 3-Isopropylpyrazole-5-carboxylic acid, AKOS000271363, AKOS002436024, AKOS025394901, AB11579, BS-3854, CS-W006370, MCULE-7390245939, RP00176, AJ-70741, AK-36894, BC262244, SMR000124646, SY027523, AB0037446, DB-011449, RT-010352, ST2406290, ST4140384, TR-042750, 3-Isopropylpyrazole-5-carboxylic acid, 97%, 4CH-000753, BB 0219317, FT-0083394, FT-0642232, Y4730, 5-propan-2-yl-1H-pyrazole-3-carboxylic acid, EN300-41163, MFCD05170240 (97%), L-2002, Y-1630, 5-(1-methylethyl)-1H-pyrazole-3-carboxylic acid, SR-01000597148, 1H-Pyrazole-5-carboxylic acid, 3-(1-methylethyl)-, A1-00182, I11-0345, J-517652, SR-01000597148-1, F0917-7551, Z425389704, 1886993-76-5, D0IC7C, C7H10N2O2, AR-1F3861, CID776421, ACN-039148, SC-50167, 5-ISOPROPYL-2H-PYRAZOLE-3-CARBOXYLICACID, 5-Isopropyl-2-methyl-2H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)- (9CI), 938-33-0,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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