4-(4-methylpyrazol-1-yl)pentanoic acid

C9H14N2O2 — CID 62213453

IUPAC4-(4-methylpyrazol-1-yl)pentanoic acid
SMILESCc1cnn(C(C)CCC(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-7-5-10-11(6-7)8(2)3-4-9(12)13/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKANHRCEMXPSPD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds4

About 4-(4-methylpyrazol-1-yl)pentanoic acid

4-(4-methylpyrazol-1-yl)pentanoic acid (PubChem CID 62213453) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)pentanoic acid
PubChem CID62213453
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(4-methylpyrazol-1-yl)pentanoic acid
SMILESCc1cnn(C(C)CCC(=O)O)c1
InChIInChI=1S/C9H14N2O2/c1-7-5-10-11(6-7)8(2)3-4-9(12)13/h5-6,8H,3-4H2,1-2H3,(H,12,13)
InChIKeyFKANHRCEMXPSPD-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylpyrazol-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 4-(4-methylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 4-(4-methylpyrazol-1-yl)pentanoic acid (CID 62213453) is 4-(4-methylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)pentanoic acid is Cc1cnn(C(C)CCC(=O)O)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)pentanoic acid?
The InChIKey is FKANHRCEMXPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-5-10-11(6-7)8(2)3-4-9(12)13/h5-6,8H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-(4-methylpyrazol-1-yl)pentanoic acid?
4-(4-methylpyrazol-1-yl)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 62213453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).