N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide

C23H19N3OS — CID 46849030

IUPACN-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Sc2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-18(15-13-16)24-23(27)21-22(28-19-10-6-3-7-11-19)20(25-26-21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyZHVKHIKSWRXYFF-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.79
Rot. Bonds5

About N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide

N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide (PubChem CID 46849030) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide
PubChem CID46849030
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC NameN-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Sc2ccccc2)cc1
InChIInChI=1S/C23H19N3OS/c1-16-12-14-18(15-13-16)24-23(27)21-22(28-19-10-6-3-7-11-19)20(25-26-21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChIKeyZHVKHIKSWRXYFF-UHFFFAOYSA-N
XLogP5.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-(methanesulfonamido)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 60590416
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CID 67754049
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
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N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
N-(4-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143495
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
4-(1H-indazol-3-yl)-N-phenylbenzamide
CID 146637903

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide (CID 46849030) is N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Sc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZHVKHIKSWRXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-16-12-14-18(15-13-16)24-23(27)21-22(28-19-10-6-3-7-11-19)20(25-26-21)17-8-4-2-5-9-17/h2-15H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide?
N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-phenyl-4-phenylsulfanyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46849030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).