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2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid

2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid - CAS 1007502-38-6

Catalog:	BB000319
Product Name:	2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid
CAS:	1007502-38-6
Synonyms:	2-(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)acetic acid; 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid
Description:	2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid (CAS# 1007502-38-6) is a useful research chemical.
Molecular Weight:	196.25
Molecular Formula:	C10H16N2O2
Canonical SMILES:	CC1=C(C(=NN1C(C)C)C)CC(=O)O
InChI:	InChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14)
InChI Key:	ZERXEZOBCJYCJF-UHFFFAOYSA-N

Publication Number	Title	Priority Date
TW-201940462-A	Compound	20180126
CN-111683926-A	Compound (I)	20180126
US-2020361871-A1	Compounds	20180126
US-2020383988-A1	Compounds	20180126
US-4146721-A	Pyrazol-4-acetic acid compounds	19690912

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.121177757
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.121177757
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2