1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid

C5H6N2O3 — CID 51063807

IUPAC1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCN1N=C(C(=O)O)CC1=O
InChIInChI=1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2H2,1H3,(H,9,10)
InChIKeyDROSEJRQKIQKQY-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.71
Rot. Bonds1

About 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid

1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid (PubChem CID 51063807) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid
PubChem CID51063807
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCN1N=C(C(=O)O)CC1=O
InChIInChI=1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2H2,1H3,(H,9,10)
InChIKeyDROSEJRQKIQKQY-UHFFFAOYSA-N
XLogP-0.71
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-oxo-4H-pyrazole-3-carboxylic 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 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid (CID 51063807) is 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid is CN1N=C(C(=O)O)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The InChIKey is DROSEJRQKIQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-7-4(8)2-3(6-7)5(9)10/h2H2,1H3,(H,9,10).
What are the key properties of 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid?
1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 51063807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).