AG00C8EE

401629-04-7 | 3-Cyclopropylpyrazole-5-carboxylic acid

AG00C8EE

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CAS Number	401629-04-7
Catalog Number	AG00C8EE(AGN-PC-0O9ZEO)
Chemical Name	3-Cyclopropylpyrazole-5-carboxylic acid
IUPAC Name	5-cyclopropyl-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChI Key	GNWMHLBUCXEXPE-UHFFFAOYSA-N
MDL Number	MFCD03834492
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	OC(=O)C1=CC(=NN1)C1CC1
Synonyms	3-cyclopropyl-1H-pyrazole-5-carboxylic acid, 401629-04-7, 5-cyclopropyl-1H-pyrazole-3-carboxylic acid, 3-Cyclopropylpyrazole-5-carboxylic acid, 890591-72-7, 5-Cyclopropyl-2H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylicacid, 5-cyclopropyl-, CHEMBL247098, MFCD04967194, 5-cyclopropylpyrazole-3-carboxylic acid, AC1LFDSJ, BAS 08766917, ACMC-1AP8L, ChemDiv2_003234, AC1Q72XL, SCHEMBL666117, CTK1D5225, CTK5G2496, GNWMHLBUCXEXPE-UHFFFAOYSA-N, HMS1378C22, AC1Q7481, ACN-P001038, ALBB-008851, ZINC4674343, ANW-54455, BBL008318, BDBM50216533, HTS000459, SBB007084, STK299962, AKOS000271358, AKOS000305947, BS-3841, MCULE-6863939887, RP00178, RTR-016031, SS-4027, KS-000019P9, AJ-70381, AM803849, AB0065693, DB-031954, RT-019681, TR-016031, BB 0239266, CS-0037041, EU-0033270, FT-0678704, FT-0760511, ST24042115, ST45092481, 3-Cyclopropylpyrazole-5-carboxylic acid, 97%, EN300-30961, 1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl-, C80010, K-8588, Y-0888, A1-00163, J-517446, I14-11005, 5-Cyclopropyl-1H-pyrazole-3-carboxylic acid, AldrichCPR, F3250-0662, F8888-5385, Z111781394, C7H8N2O2, CID776464, ACN-039262, 1-(1-methyl-1H-benzimidazol-2-yl)ethanamine, 3-CYCLOPROPYLPYRAZOLE-5-CARBOXYLICACID, 5-CYCLOPROPYL-2H-PYRAZOLE-3-CARBOXYLICACID, 1H-Pyrazole-3-carboxylic acid, 5-cyclopropyl- (9CI),

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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