N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide

C25H24N4O3S — CID 24610626

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O3S/c1-33(31,32)28-23-14-8-13-21(15-23)25(30)26-16-22-18-29(17-19-9-4-2-5-10-19)27-24(22)20-11-6-3-7-12-20/h2-15,18,28H,16-17H2,1H3,(H,26,30)
InChIKeyHPXOHWKJJINQGB-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.90
Rot. Bonds8

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide (PubChem CID 24610626) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
PubChem CID24610626
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H24N4O3S/c1-33(31,32)28-23-14-8-13-21(15-23)25(30)26-16-22-18-29(17-19-9-4-2-5-10-19)27-24(22)20-11-6-3-7-12-20/h2-15,18,28H,16-17H2,1H3,(H,26,30)
InChIKeyHPXOHWKJJINQGB-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651831
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112813528
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 24668798
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16588340
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide (CID 24610626) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is HPXOHWKJJINQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-33(31,32)28-23-14-8-13-21(15-23)25(30)26-16-22-18-29(17-19-9-4-2-5-10-19)27-24(22)20-11-6-3-7-12-20/h2-15,18,28H,16-17H2,1H3,(H,26,30).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 24610626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).