N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide

C18H18N4O3S — CID 166196936

IUPACN-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O3S/c1-22-12-16(17(20-22)13-6-4-3-5-7-13)18(23)19-14-8-10-15(11-9-14)21-26(2,24)25/h3-12,21H,1-2H3,(H,19,23)
InChIKeyOJYJASXKPROTRC-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.71
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide

N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide (PubChem CID 166196936) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide
PubChem CID166196936
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O3S/c1-22-12-16(17(20-22)13-6-4-3-5-7-13)18(23)19-14-8-10-15(11-9-14)21-26(2,24)25/h3-12,21H,1-2H3,(H,19,23)
InChIKeyOJYJASXKPROTRC-UHFFFAOYSA-N
XLogP2.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020352
4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 60590416
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
1-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 159069154
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide (CID 166196936) is N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(-c2ccccc2)n1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide?
The InChIKey is OJYJASXKPROTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-12-16(17(20-22)13-6-4-3-5-7-13)18(23)19-14-8-10-15(11-9-14)21-26(2,24)25/h3-12,21H,1-2H3,(H,19,23).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide?
N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-1-methyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 166196936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).