N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide

C17H18N4O2S — CID 48947247

IUPACN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C17H18N4O2S/c1-2-24(22,23)19-12-15-13-21(16-6-4-3-5-7-16)20-17(15)14-8-10-18-11-9-14/h3-11,13,19H,2,12H2,1H3
InChIKeyUJRWAJYHCDCDOS-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.37
Rot. Bonds6

About N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide (PubChem CID 48947247) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
PubChem CID48947247
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
InChIInChI=1S/C17H18N4O2S/c1-2-24(22,23)19-12-15-13-21(16-6-4-3-5-7-16)20-17(15)14-8-10-18-11-9-14/h3-11,13,19H,2,12H2,1H3
InChIKeyUJRWAJYHCDCDOS-UHFFFAOYSA-N
XLogP2.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.37
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
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
4-methylsulfonyl-2-nitro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]aniline
CID 60605155
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
4-(4-bromo-1-phenylpyrazol-3-yl)pyridine
CID 67295632
N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]butane-1-sulfonamide
CID 51352682
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28536639

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide (CID 48947247) is N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1.
What is the InChIKey of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide?
The InChIKey is UJRWAJYHCDCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-24(22,23)19-12-15-13-21(16-6-4-3-5-7-16)20-17(15)14-8-10-18-11-9-14/h3-11,13,19H,2,12H2,1H3.
What are the key properties of N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide?
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 48947247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).