1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide

C18H17N3OS — CID 39943724

IUPAC1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3OS/c22-18(19-12-14-23-16-9-5-2-6-10-16)17-11-13-21(20-17)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22)
InChIKeyJSSYCBOOEKVAOF-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.39
Rot. Bonds6

About 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide

1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide (PubChem CID 39943724) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
PubChem CID39943724
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCSc1ccccc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H17N3OS/c22-18(19-12-14-23-16-9-5-2-6-10-16)17-11-13-21(20-17)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22)
InChIKeyJSSYCBOOEKVAOF-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenyltriazole-4-carboxamide
CID 46474779
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 46478570

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide (CID 39943724) is 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide is O=C(NCCSc1ccccc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide?
The InChIKey is JSSYCBOOEKVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(19-12-14-23-16-9-5-2-6-10-16)17-11-13-21(20-17)15-7-3-1-4-8-15/h1-11,13H,12,14H2,(H,19,22).
What are the key properties of 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide?
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 39943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).