3-(4-Methyl-1H-pyrazol-1-yl)butanoic acid - CAS 1183175-26-9

Catalog:	BB050927
Product Name:	3-(4-Methyl-1H-pyrazol-1-yl)butanoic acid
CAS:	1183175-26-9
Synonyms:	1H-Pyrazole-1-propanoic acid, β,4-dimethyl-

Technical Data

Computed Properties

IUPAC Name:	3-(4-methylpyrazol-1-yl)butanoic acid
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CC1=CN(N=C1)C(C)CC(=O)O
InChI:	InChI=1S/C8H12N2O2/c1-6-4-9-10(5-6)7(2)3-8(11)12/h4-5,7H,3H2,1-2H3,(H,11,12)
InChI Key:	RNGIZFGKDQIASG-UHFFFAOYSA-N
Boiling Point:	316.0±25.0°C (Predicted)
Purity:	≥95%
Density:	1.19±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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Pyrazoles

[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
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1184994-08-8]
2,2-Dimethyl-1-pyrazol-1-ylmethyl-propylamine hydrochloride

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.08987763
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4