N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C22H19N3O — CID 51046469

IUPACN-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C22H19N3O/c1-25(15-16-8-3-2-4-9-16)22(26)21-14-20(23-24-21)19-13-7-11-17-10-5-6-12-18(17)19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyDGKYHHOOFIYWFB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.50
Rot. Bonds4

About N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046469) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046469
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C22H19N3O/c1-25(15-16-8-3-2-4-9-16)22(26)21-14-20(23-24-21)19-13-7-11-17-10-5-6-12-18(17)19/h2-14H,15H2,1H3,(H,23,24)
InChIKeyDGKYHHOOFIYWFB-UHFFFAOYSA-N
XLogP4.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
3-amino-N-methyl-N-(naphthalen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64523494
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 166183764
3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
N-benzyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513822
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046469) is N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DGKYHHOOFIYWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-25(15-16-8-3-2-4-9-16)22(26)21-14-20(23-24-21)19-13-7-11-17-10-5-6-12-18(17)19/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).