2-(4-Chloro-1H-pyrazol-1-yl)butanoic acid - CAS 1005629-01-5

Catalog:	BB046302
Product Name:	2-(4-Chloro-1H-pyrazol-1-yl)butanoic acid
CAS:	1005629-01-5
Synonyms:	2-(4-Chloro-pyrazol-1-yl)-butyric acid; 2-(4-chloropyrazolyl)butanoic acid

Technical Data

Computed Properties

IUPAC Name:	2-(4-chloropyrazol-1-yl)butanoic acid
Description:	2-(4-Chloro-1H-pyrazol-1-yl)butanoic acid (CAS# 1005629-01-5 ) is a useful research chemical.
Molecular Weight:	188.61
Molecular Formula:	C7H9ClN2O2
Canonical SMILES:	CCC(C(=O)O)N1C=C(C=N1)Cl
InChI:	InChI=1S/C7H9ClN2O2/c1-2-6(7(11)12)10-4-5(8)3-9-10/h3-4,6H,2H2,1H3,(H,11,12)
InChI Key:	NQGXFNDVJVYKNU-UHFFFAOYSA-N
Boiling Point:	331.7±22.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine

Pyrazoles

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.0352552
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5