3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide

C17H15N3OS — CID 2822576

IUPAC3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-22-17-15(16(21)18-13-8-4-2-5-9-13)12-20(19-17)14-10-6-3-7-11-14/h2-12H,1H3,(H,18,21)
InChIKeyHQSJEGURFIVSLX-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.85
Rot. Bonds4

About 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide

3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 2822576) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
PubChem CID2822576
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
SMILESCSc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-22-17-15(16(21)18-13-8-4-2-5-9-13)12-20(19-17)14-10-6-3-7-11-14/h2-12H,1H3,(H,18,21)
InChIKeyHQSJEGURFIVSLX-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
3-methylsulfanyl-1-phenylpyrazol-4-amine
CID 57193043
N-(4-acetamidophenyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 29195602
N'-(1,3-diphenylpyrazole-4-carbonyl)-2-methylsulfanylpyridine-3-carbohydrazide
CID 24512663
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide (CID 2822576) is 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide is CSc1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is HQSJEGURFIVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-22-17-15(16(21)18-13-8-4-2-5-9-13)12-20(19-17)14-10-6-3-7-11-14/h2-12H,1H3,(H,18,21).
What are the key properties of 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide?
3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2822576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).