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4-(4-Chloro-5-methyl-1H-pyrazol-1-yl)butanoic acid

4-(4-Chloro-5-methyl-1H-pyrazol-1-yl)butanoic acid - CAS 1006495-38-0

Catalog:	BB048393
Product Name:	4-(4-Chloro-5-methyl-1H-pyrazol-1-yl)butanoic acid
CAS:	1006495-38-0
Synonyms:	4-(4-chloro-5-methylpyrazolyl)butanoic acid; 1H-Pyrazole-1-butanoic acid, 4-chloro-5-methyl-

Technical Data

Computed Properties

IUPAC Name:	4-(4-chloro-5-methylpyrazol-1-yl)butanoic acid
Description:	4-(4-Chloro-5-methyl-1H-pyrazol-1-yl)butanoic acid (CAS# 1006495-38-0 ) is a useful research chemical.
Molecular Weight:	202.64
Molecular Formula:	C8H11ClN2O2
Canonical SMILES:	CC1=C(C=NN1CCCC(=O)O)Cl
InChI:	InChI=1S/C8H11ClN2O2/c1-6-7(9)5-10-11(6)4-2-3-8(12)13/h5H,2-4H2,1H3,(H,12,13)
InChI Key:	PHXNTSZWLWSBBK-UHFFFAOYSA-N
Boiling Point:	374.5±32.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.33±0.1 g/cm³ (Predicted)

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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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0509053
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.0509053
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1