2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid

C12H18N2O2 — CID 105479308

IUPAC2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(C2CCCC2)n(C)n1
InChIInChI=1S/C12H18N2O2/c1-8(12(15)16)10-7-11(14(2)13-10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyYGJUQJUCSLLLGP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.27
Rot. Bonds3

About 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid

2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid (PubChem CID 105479308) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
PubChem CID105479308
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc(C2CCCC2)n(C)n1
InChIInChI=1S/C12H18N2O2/c1-8(12(15)16)10-7-11(14(2)13-10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyYGJUQJUCSLLLGP-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
CID 155894444
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CID 83818201
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
(2R)-2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364489
5-cyclohexyl-1-methylpyrazol-3-amine
CID 83696183
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CID 164792338
2-(1-cyclopentylimidazol-4-yl)propanoic acid
CID 83883845
2-(1-methyl-5-phenylpyrazol-3-yl)propanoic acid
CID 105488006
(5-cyclobutyl-1-methylpyrazol-3-yl)methanol
CID 164719502
5-cyclohexyl-N,1-dimethylpyrazol-3-amine
CID 116827500
5-[(E)-2-(5-cyclopropyl-1-methylpyrazol-3-yl)ethenyl]pyrazine-2-carboxylic acid
CID 166302015
2-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]acetic acid
CID 154882036

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid (CID 105479308) is 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid is CC(C(=O)O)c1cc(C2CCCC2)n(C)n1.
What is the InChIKey of 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid?
The InChIKey is YGJUQJUCSLLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(12(15)16)10-7-11(14(2)13-10)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid?
2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-1-methylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 105479308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).