2-(5-methyl-1H-pyrazol-4-yl)acetic acid

C6H8N2O2 — CID 54572443

IUPAC2-(5-methyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]ncc1CC(=O)O
InChIInChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)3-7-8-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyZYGUBLYBHLVTPW-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.35
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-4-yl)acetic acid

2-(5-methyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 54572443) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-4-yl)acetic acid
PubChem CID54572443
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-(5-methyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]ncc1CC(=O)O
InChIInChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)3-7-8-4/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeyZYGUBLYBHLVTPW-UHFFFAOYSA-N
XLogP0.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(5-methyl-1H-pyrazol-4-yl)acetic 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 2-(5-methyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)acetic acid (CID 54572443) is 2-(5-methyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-4-yl)acetic acid is Cc1[nH]ncc1CC(=O)O.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is ZYGUBLYBHLVTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)3-7-8-4/h3H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(5-methyl-1H-pyrazol-4-yl)acetic acid?
2-(5-methyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 54572443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).