N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

C25H23N3O3S — CID 60515331

IUPACN-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCS(=O)(=O)c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-19-12-14-21(15-13-19)28-18-23(24(27-28)20-8-4-2-5-9-20)25(29)26-16-17-32(30,31)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyUKTLEWAQVOXYKY-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide

N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 60515331) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID60515331
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCS(=O)(=O)c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-19-12-14-21(15-13-19)28-18-23(24(27-28)20-8-4-2-5-9-20)25(29)26-16-17-32(30,31)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyUKTLEWAQVOXYKY-UHFFFAOYSA-N
XLogP4.05
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 38533366
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide (CID 60515331) is N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCS(=O)(=O)c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is UKTLEWAQVOXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-19-12-14-21(15-13-19)28-18-23(24(27-28)20-8-4-2-5-9-20)25(29)26-16-17-32(30,31)22-10-6-3-7-11-22/h2-15,18H,16-17H2,1H3,(H,26,29).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide?
N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 60515331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).