AG008NGH

78208-72-7 | Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,

AG008NGH

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CAS Number	78208-72-7
Catalog Number	AG008NGH(AGN-PC-0LTBIH)
Chemical Name	Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,
IUPAC Name	ethyl 5-propan-2-yl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C9H14N2O2/c1-4-13-9(12)8-5-7(6(2)3)10-11-8/h5-6H,4H2,1-3H3,(H,10,11)
InChI Key	ILTUMWMASHHTOQ-UHFFFAOYSA-N
MDL Number	MFCD08533270
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	O=C(C1=CC(C(C)C)=NN1)OCC
Synonyms	78208-72-7, ethyl 3-isopropyl-1H-pyrazole-5-carboxylate, ethyl 5-isopropyl-1H-pyrazole-3-carboxylate, Ethyl 5-Isopropylpyrazole-3-carboxylate, ethyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-, ethyl ester, ethyl 5-propan-2-yl-1H-pyrazole-3-carboxylate, ILTUMWMASHHTOQ-UHFFFAOYSA-N, Ethyl 5-(propan-2-yl)-1H-pyrazole-3-carboxylate, AK-55193, 5-Isopropyl-1H-pyrazole-3-carboxylic acid ethyl ester, MFCD08533270, AC1O4YAC, SCHEMBL2029572, 5-Isopropyl-2H-pyrazole-3-carboxylic acid, ethyl ester, CTK3J5963, DTXSID00423659, BB_SC-10409, KS-000004OX, ANW-44088, BBL029923, CE-724, STL221346, ZINC12359079, AKOS000136428, AKOS015843453, AN-3289, MCULE-1935927294, RP00175, RTC-068853, SB12602, WT81951, AJ-81408, AS-19723, BC668901, AB0038191, AX8129101, ethyl 5-(methylethyl)pyrazole-3-carboxylate, TC-068853, TC-069716, 4CH-000752, ethyl 5-isopropyl-2H-pyrazole-3-carboxylate, FT-0685054, ST24030570, ST50407539, Y5548, Ethyl 3-isopropyl-1H-pyrazole-5-carboxylate,, VU0649839-1, L-1998, A844393, ETHYL 5-ISOPROPYLPYRAZOLE-3-CARBOXYLATE, 97, J-521141, S14-1904, 3-Isopropyl-1H-pyrazole-5-carboxylic acid ethyl ester, 5-Isopropyl-1H-pyrazol-3-carboxylic acid ethyl ester, 5-Isopropyl-2H-pyrazole-3-carboxylic acid ethyl ester, I14-12910, 5-propan-2-yl-1H-pyrazole-3-carboxylic acid ethyl ester, F9995-1848, Z794437062, ethyl 3-(propan-2-yl)-1H-pyrazole-5-carboxylate;1H-Pyrazole-3-carboxylic acid, 5-(1-Methylethyl)-, ethyl ester, C9H14N2O2, Ethyl5-isopropylpyrazole-3-carboxylate, ACN-050154, CID6422484, 3- isopropyl-1H-pyrazole-5-carboxylic acid ethyl ester, 92933-47-6,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.223g/mol
Monoisotopic Mass	182.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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