2-(3,4-dimethylpyrazol-1-yl)butanedioic acid

C9H12N2O4 — CID 67052960

IUPAC2-(3,4-dimethylpyrazol-1-yl)butanedioic acid
SMILESCc1cn(C(CC(=O)O)C(=O)O)nc1C
InChIInChI=1S/C9H12N2O4/c1-5-4-11(10-6(5)2)7(9(14)15)3-8(12)13/h4,7H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFGIFCVDSYXGMRG-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.60
Rot. Bonds4

About 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid

2-(3,4-dimethylpyrazol-1-yl)butanedioic acid (PubChem CID 67052960) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid.

Molecular Properties

Compound Name2-(3,4-dimethylpyrazol-1-yl)butanedioic acid
PubChem CID67052960
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(3,4-dimethylpyrazol-1-yl)butanedioic acid
SMILESCc1cn(C(CC(=O)O)C(=O)O)nc1C
InChIInChI=1S/C9H12N2O4/c1-5-4-11(10-6(5)2)7(9(14)15)3-8(12)13/h4,7H,3H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyFGIFCVDSYXGMRG-UHFFFAOYSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylpyrazol-1-yl)butanedioic 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-(3,4-dimethylpyrazol-1-yl)butanedioic acid?
The IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid (CID 67052960) is 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid.
What is the SMILES notation for 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid?
The canonical SMILES for 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid is Cc1cn(C(CC(=O)O)C(=O)O)nc1C.
What is the InChIKey of 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid?
The InChIKey is FGIFCVDSYXGMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-4-11(10-6(5)2)7(9(14)15)3-8(12)13/h4,7H,3H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid?
2-(3,4-dimethylpyrazol-1-yl)butanedioic acid has a molecular weight of 212.20 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrazol-1-yl)butanedioic acid is sourced from PubChem (CID 67052960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).