4,4-dimethyl-3-pyrazol-1-ylpentanoic acid

C10H16N2O2 — CID 166660871

IUPAC4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1cccn1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(7-9(13)14)12-6-4-5-11-12/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyFITNVGFBRNAKLV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.95
Rot. Bonds3

About 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid

4,4-dimethyl-3-pyrazol-1-ylpentanoic acid (PubChem CID 166660871) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
PubChem CID166660871
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,4-dimethyl-3-pyrazol-1-ylpentanoic acid
SMILESCC(C)(C)C(CC(=O)O)n1cccn1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(7-9(13)14)12-6-4-5-11-12/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyFITNVGFBRNAKLV-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-3-pyrazol-1-ylpentanoic 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-dimethyl-3-pyrazol-1-ylpentanoic acid?
The IUPAC name of 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid (CID 166660871) is 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid is CC(C)(C)C(CC(=O)O)n1cccn1.
What is the InChIKey of 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid?
The InChIKey is FITNVGFBRNAKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8(7-9(13)14)12-6-4-5-11-12/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid?
4,4-dimethyl-3-pyrazol-1-ylpentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-pyrazol-1-ylpentanoic acid is sourced from PubChem (CID 166660871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).