3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid

C7H10N2O3 — CID 84653690

IUPAC3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid
SMILESCC(C)c1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-3(2)5-4(7(11)12)6(10)9-8-5/h3H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyMPLSPKHXAYDGDR-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.52
Rot. Bonds2

About 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid

3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 84653690) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID84653690
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid
SMILESCC(C)c1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H10N2O3/c1-3(2)5-4(7(11)12)6(10)9-8-5/h3H,1-2H3,(H,11,12)(H2,8,9,10)
InChIKeyMPLSPKHXAYDGDR-UHFFFAOYSA-N
XLogP0.52
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-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 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid (CID 84653690) is 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid is CC(C)c1[nH][nH]c(=O)c1C(=O)O.
What is the InChIKey of 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is MPLSPKHXAYDGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3(2)5-4(7(11)12)6(10)9-8-5/h3H,1-2H3,(H,11,12)(H2,8,9,10).
What are the key properties of 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid?
3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5-propan-2-yl-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 84653690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).