2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid

C15H24N2O2 — CID 64785587

IUPAC2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-11(2)9-12(15(18)19)10-13-7-8-17(16-13)14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyINQGUPVAQXUYLA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds6

About 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid

2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid (PubChem CID 64785587) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
PubChem CID64785587
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
SMILESCC(C)CC(Cc1ccn(C2CCCC2)n1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-11(2)9-12(15(18)19)10-13-7-8-17(16-13)14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyINQGUPVAQXUYLA-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl]pentan-2-one
CID 64784585
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
[1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-yl]hydrazine
CID 105199131
2-[(1-cyclohexylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801326
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
2-[(1-cyclopentylpyrazol-3-yl)methylsulfinyl]-3-methylbutanoic acid
CID 105355745
2-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]-3-methylbutanoic acid
CID 105354630
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butanoic acid
CID 66135793
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid (CID 64785587) is 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid is CC(C)CC(Cc1ccn(C2CCCC2)n1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
The InChIKey is INQGUPVAQXUYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-12(15(18)19)10-13-7-8-17(16-13)14-5-3-4-6-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid?
2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid is sourced from PubChem (CID 64785587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).