4-anilino-1-methylpyrazole-5-carboxylic acid

C11H11N3O2 — CID 3163197

IUPAC4-anilino-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-14-10(11(15)16)9(7-12-14)13-8-5-3-2-4-6-8/h2-7,13H,1H3,(H,15,16)
InChIKeyYIXRIZSRKMUAHQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds3

About 4-anilino-1-methylpyrazole-5-carboxylic acid

4-anilino-1-methylpyrazole-5-carboxylic acid (PubChem CID 3163197) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-anilino-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-anilino-1-methylpyrazole-5-carboxylic acid
PubChem CID3163197
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-anilino-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-14-10(11(15)16)9(7-12-14)13-8-5-3-2-4-6-8/h2-7,13H,1H3,(H,15,16)
InChIKeyYIXRIZSRKMUAHQ-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-anilino-1-methylpyrazole-5-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 4-anilino-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-anilino-1-methylpyrazole-5-carboxylic acid (CID 3163197) is 4-anilino-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-anilino-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-anilino-1-methylpyrazole-5-carboxylic acid is Cn1ncc(Nc2ccccc2)c1C(=O)O.
What is the InChIKey of 4-anilino-1-methylpyrazole-5-carboxylic acid?
The InChIKey is YIXRIZSRKMUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-10(11(15)16)9(7-12-14)13-8-5-3-2-4-6-8/h2-7,13H,1H3,(H,15,16).
What are the key properties of 4-anilino-1-methylpyrazole-5-carboxylic acid?
4-anilino-1-methylpyrazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 3163197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).