2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid

C9H14N2O3 — CID 83856704

IUPAC2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
SMILESCn1c(C(C)(C)C(=O)O)cc(=O)n1C
InChIInChI=1S/C9H14N2O3/c1-9(2,8(13)14)6-5-7(12)11(4)10(6)3/h5H,1-4H3,(H,13,14)
InChIKeyCSSUJJHZSXOZMT-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.09
Rot. Bonds2

About 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid

2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid (PubChem CID 83856704) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
PubChem CID83856704
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid
SMILESCn1c(C(C)(C)C(=O)O)cc(=O)n1C
InChIInChI=1S/C9H14N2O3/c1-9(2,8(13)14)6-5-7(12)11(4)10(6)3/h5H,1-4H3,(H,13,14)
InChIKeyCSSUJJHZSXOZMT-UHFFFAOYSA-N
XLogP0.09
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic 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-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid (CID 83856704) is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid is Cn1c(C(C)(C)C(=O)O)cc(=O)n1C.
What is the InChIKey of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid?
The InChIKey is CSSUJJHZSXOZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,8(13)14)6-5-7(12)11(4)10(6)3/h5H,1-4H3,(H,13,14).
What are the key properties of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid?
2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83856704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).