3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid

C14H22N2O2 — CID 62633703

IUPAC3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid
SMILESCC(C)CCn1cc(C(=O)O)c(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-8-16-9-12(14(17)18)13(15-16)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyLPDNWGBWFQUCGP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.29
Rot. Bonds5

About 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid

3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid (PubChem CID 62633703) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid
PubChem CID62633703
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid
SMILESCC(C)CCn1cc(C(=O)O)c(C2CCCC2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)7-8-16-9-12(14(17)18)13(15-16)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,18)
InChIKeyLPDNWGBWFQUCGP-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutyl)-3-(oxolan-3-yl)pyrazole-4-carboxylic acid
CID 113483564
3-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrazole-4-carboxylic acid
CID 19622820
1-(3-cyclopropyl-1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 112713436
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95348396
3-cyclopentyl-1-(2-methylpropyl)pyrazol-4-amine
CID 83216247
1-(5-bromo-2-pyridinyl)-3-cyclohexylpyrazole-4-carboxylic acid
CID 65348133
3-cyclopentyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 62633700
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
2-(3-cyclopropyl-1-propylpyrazol-4-yl)acetic acid
CID 83883734
3-cyclopropyl-1-(1,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
CID 175566292
1-(4-bromo-2-methylphenyl)-3-cyclopentylpyrazole-4-carboxylic acid
CID 104508761

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid (CID 62633703) is 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid is CC(C)CCn1cc(C(=O)O)c(C2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid?
The InChIKey is LPDNWGBWFQUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)7-8-16-9-12(14(17)18)13(15-16)11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid?
3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3-methylbutyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 62633703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).