2-pyrazol-1-ylpentanoic acid

C8H12N2O2 — CID 69474437

IUPAC2-pyrazol-1-ylpentanoic acid
SMILESCCCC(C(=O)O)n1cccn1
InChIInChI=1S/C8H12N2O2/c1-2-4-7(8(11)12)10-6-3-5-9-10/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyQLBPOGPRHRIOFH-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.31
Rot. Bonds4

About 2-pyrazol-1-ylpentanoic acid

2-pyrazol-1-ylpentanoic acid (PubChem CID 69474437) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-pyrazol-1-ylpentanoic acid.

Molecular Properties

Compound Name2-pyrazol-1-ylpentanoic acid
PubChem CID69474437
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-pyrazol-1-ylpentanoic acid
SMILESCCCC(C(=O)O)n1cccn1
InChIInChI=1S/C8H12N2O2/c1-2-4-7(8(11)12)10-6-3-5-9-10/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyQLBPOGPRHRIOFH-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylpentanoic acid?
The IUPAC name of 2-pyrazol-1-ylpentanoic acid (CID 69474437) is 2-pyrazol-1-ylpentanoic acid.
What is the SMILES notation for 2-pyrazol-1-ylpentanoic acid?
The canonical SMILES for 2-pyrazol-1-ylpentanoic acid is CCCC(C(=O)O)n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylpentanoic acid?
The InChIKey is QLBPOGPRHRIOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-4-7(8(11)12)10-6-3-5-9-10/h3,5-7H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-pyrazol-1-ylpentanoic acid?
2-pyrazol-1-ylpentanoic acid has a molecular weight of 168.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylpentanoic acid is sourced from PubChem (CID 69474437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).