N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C20H17N3O — CID 3812990

IUPACN-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1N=CCC1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24)
InChIKeyJASHXIGPEHHYSO-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.80
Rot. Bonds2

About N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3812990) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3812990
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC NameN-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1N=CCC1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24)
InChIKeyJASHXIGPEHHYSO-UHFFFAOYSA-N
XLogP4.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-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 N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 3812990) is N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccc2ccccc12)N1N=CCC1c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JASHXIGPEHHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24).
What are the key properties of N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3812990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).