1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

C23H21N5O3S — CID 41259195

IUPAC1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H21N5O3S/c1-16(17-9-11-20(12-10-17)32(24,30)31)26-23(29)21-15-28(19-7-3-2-4-8-19)27-22(21)18-6-5-13-25-14-18/h2-16H,1H3,(H,26,29)(H2,24,30,31)/t16-/m0/s1
InChIKeyKRXOFGBJTGWFBZ-INIZCTEOSA-N
MW447.52 g/mol
LogP3.07
Rot. Bonds6

About 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide

1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 41259195) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID41259195
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H21N5O3S/c1-16(17-9-11-20(12-10-17)32(24,30)31)26-23(29)21-15-28(19-7-3-2-4-8-19)27-22(21)18-6-5-13-25-14-18/h2-16H,1H3,(H,26,29)(H2,24,30,31)/t16-/m0/s1
InChIKeyKRXOFGBJTGWFBZ-INIZCTEOSA-N
XLogP3.07
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methylsulfanylphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46432603
1-phenyl-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 97088156
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
1-phenyl-N-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 47026926
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
1-(4-chlorophenyl)-3-phenyl-N-[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazole-4-carboxamide
CID 46917889
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide (CID 41259195) is 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is KRXOFGBJTGWFBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-16(17-9-11-20(12-10-17)32(24,30)31)26-23(29)21-15-28(19-7-3-2-4-8-19)27-22(21)18-6-5-13-25-14-18/h2-16H,1H3,(H,26,29)(H2,24,30,31)/t16-/m0/s1.
What are the key properties of 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide?
1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-yl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 41259195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).