3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid

C20H14N2O2 — CID 976649

IUPAC3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-20(24)18-13-22(15-9-2-1-3-10-15)21-19(18)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,24)
InChIKeyZLZMLNRMYRYGSK-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.39
Rot. Bonds3

About 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid

3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid (PubChem CID 976649) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid
PubChem CID976649
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc12
InChIInChI=1S/C20H14N2O2/c23-20(24)18-13-22(15-9-2-1-3-10-15)21-19(18)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,24)
InChIKeyZLZMLNRMYRYGSK-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-naphthalen-1-yl-1-phenylpyrazole-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-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid (CID 976649) is 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)nc1-c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is ZLZMLNRMYRYGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)18-13-22(15-9-2-1-3-10-15)21-19(18)17-12-6-8-14-7-4-5-11-16(14)17/h1-13H,(H,23,24).
What are the key properties of 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid?
3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 976649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).