3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide

C21H21N3OS — CID 9291418

IUPAC3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H21N3OS/c25-21(22-13-14-26-18-9-5-2-6-10-18)20-15-19(16-11-12-16)23-24(20)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,22,25)
InChIKeyUFEJJUUVNIWDES-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.27
Rot. Bonds7

About 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide

3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide (PubChem CID 9291418) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
PubChem CID9291418
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C21H21N3OS/c25-21(22-13-14-26-18-9-5-2-6-10-18)20-15-19(16-11-12-16)23-24(20)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,22,25)
InChIKeyUFEJJUUVNIWDES-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.27
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

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CID 41365797
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CID 9406513
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 9398113
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045
3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 46537628
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide (CID 9291418) is 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide is O=C(NCCSc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide?
The InChIKey is UFEJJUUVNIWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c25-21(22-13-14-26-18-9-5-2-6-10-18)20-15-19(16-11-12-16)23-24(20)17-7-3-1-4-8-17/h1-10,15-16H,11-14H2,(H,22,25).
What are the key properties of 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide?
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 9291418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).