[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide

C21H18N4O2S — CID 51353320

IUPAC[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C21H18N4O2S/c22-28(26,27)15-16-6-8-17(9-7-16)20-14-25(19-4-2-1-3-5-19)24-21(20)18-10-12-23-13-11-18/h1-14H,15H2,(H2,22,26,27)
InChIKeyXKBNMDPSWGEGQY-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.39
Rot. Bonds5

About [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide

[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide (PubChem CID 51353320) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
PubChem CID51353320
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
InChIInChI=1S/C21H18N4O2S/c22-28(26,27)15-16-6-8-17(9-7-16)20-14-25(19-4-2-1-3-5-19)24-21(20)18-10-12-23-13-11-18/h1-14H,15H2,(H2,22,26,27)
InChIKeyXKBNMDPSWGEGQY-UHFFFAOYSA-N
XLogP3.39
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methyl]propane-1-sulfonamide
CID 51352613
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]propane-2-sulfonamide
CID 51353259
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
1,3,4-triphenylpyrazole
CID 555882
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
2-(1,4-diphenylpyrazol-3-yl)benzenesulfonamide
CID 173207476
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
N-[5-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 51353324
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol
CID 20594015

Frequently Asked Questions

What is the IUPAC name of [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide (CID 51353320) is [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(-c2cn(-c3ccccc3)nc2-c2ccncc2)cc1.
What is the InChIKey of [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is XKBNMDPSWGEGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c22-28(26,27)15-16-6-8-17(9-7-16)20-14-25(19-4-2-1-3-5-19)24-21(20)18-10-12-23-13-11-18/h1-14H,15H2,(H2,22,26,27).
What are the key properties of [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide?
[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 51353320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).