5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid

C15H18N2O2 — CID 10945112

IUPAC5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
SMILESCc1ccc(-c2ccn(CCCCC(=O)O)n2)cc1
InChIInChI=1S/C15H18N2O2/c1-12-5-7-13(8-6-12)14-9-11-17(16-14)10-3-2-4-15(18)19/h5-9,11H,2-4,10H2,1H3,(H,18,19)
InChIKeyYVEIEUBECFKDCT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.11
Rot. Bonds6

About 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid

5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid (PubChem CID 10945112) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
PubChem CID10945112
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
SMILESCc1ccc(-c2ccn(CCCCC(=O)O)n2)cc1
InChIInChI=1S/C15H18N2O2/c1-12-5-7-13(8-6-12)14-9-11-17(16-14)10-3-2-4-15(18)19/h5-9,11H,2-4,10H2,1H3,(H,18,19)
InChIKeyYVEIEUBECFKDCT-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid (CID 10945112) is 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid is Cc1ccc(-c2ccn(CCCCC(=O)O)n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is YVEIEUBECFKDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-12-5-7-13(8-6-12)14-9-11-17(16-14)10-3-2-4-15(18)19/h5-9,11H,2-4,10H2,1H3,(H,18,19).
What are the key properties of 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid?
5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 10945112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).