1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide

C23H21N3O — CID 1235417

IUPAC1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H21N3O/c1-3-17-8-6-7-11-22(17)26-16(2)21(15-24-26)23(27)25-20-13-12-18-9-4-5-10-19(18)14-20/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyQOPILPAAQBTHNX-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.15
Rot. Bonds4

About 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide

1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide (PubChem CID 1235417) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
PubChem CID1235417
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3c2)c1C
InChIInChI=1S/C23H21N3O/c1-3-17-8-6-7-11-22(17)26-16(2)21(15-24-26)23(27)25-20-13-12-18-9-4-5-10-19(18)14-20/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyQOPILPAAQBTHNX-UHFFFAOYSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide 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 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide (CID 1235417) is 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide is CCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3c2)c1C.
What is the InChIKey of 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The InChIKey is QOPILPAAQBTHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-3-17-8-6-7-11-22(17)26-16(2)21(15-24-26)23(27)25-20-13-12-18-9-4-5-10-19(18)14-20/h4-15H,3H2,1-2H3,(H,25,27).
What are the key properties of 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1235417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).