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

C26H26N4O3S — CID 33116947

IUPAC1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-8-14-23(15-9-19)30-17-24(25(29-30)22-6-4-3-5-7-22)26(31)28-16-20-10-12-21(13-11-20)18-34(32,33)27-2/h3-15,17,27H,16,18H2,1-2H3,(H,28,31)
InChIKeyCVDGXLIOMCAUJQ-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.83
Rot. Bonds8

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

1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 33116947) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
PubChem CID33116947
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-8-14-23(15-9-19)30-17-24(25(29-30)22-6-4-3-5-7-22)26(31)28-16-20-10-12-21(13-11-20)18-34(32,33)27-2/h3-15,17,27H,16,18H2,1-2H3,(H,28,31)
InChIKeyCVDGXLIOMCAUJQ-UHFFFAOYSA-N
XLogP3.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60515331
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 38533366
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55725262

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide (CID 33116947) is 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is CVDGXLIOMCAUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-8-14-23(15-9-19)30-17-24(25(29-30)22-6-4-3-5-7-22)26(31)28-16-20-10-12-21(13-11-20)18-34(32,33)27-2/h3-15,17,27H,16,18H2,1-2H3,(H,28,31).
What are the key properties of 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide?
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 33116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).