N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C21H17N3O3S — CID 51046431

IUPACN-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-28(26,27)16-11-9-15(10-12-16)22-21(25)20-13-19(23-24-20)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeySSHZPCHCHQKJSZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.89
Rot. Bonds4

About N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046431) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046431
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-28(26,27)16-11-9-15(10-12-16)22-21(25)20-13-19(23-24-20)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeySSHZPCHCHQKJSZ-UHFFFAOYSA-N
XLogP3.89
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 1390076

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046431) is N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is SSHZPCHCHQKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-28(26,27)16-11-9-15(10-12-16)22-21(25)20-13-19(23-24-20)18-8-4-6-14-5-2-3-7-17(14)18/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).