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

C18H17N3OS — CID 9398113

IUPAC3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H17N3OS/c22-18(19-12-15-7-4-10-23-15)17-11-16(13-8-9-13)20-21(17)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,19,22)
InChIKeyWLUQPQMHXUHGNZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.74
Rot. Bonds5

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

3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 9398113) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID9398113
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
SMILESO=C(NCc1cccs1)c1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C18H17N3OS/c22-18(19-12-15-7-4-10-23-15)17-11-16(13-8-9-13)20-21(17)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,19,22)
InChIKeyWLUQPQMHXUHGNZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 17453949
3-cyclopropyl-N-(oxan-4-ylmethyl)-1-phenylpyrazole-5-carboxamide
CID 71709246
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
3-cyclopropyl-1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-5-carboxamide
CID 9291418
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 18132423
3-cyclopropyl-1-phenyl-N-(3-phenylmethoxypropyl)pyrazole-5-carboxamide
CID 41365797
3-cyclopropyl-N-(3-ethoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 9406513
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide (CID 9398113) is 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is O=C(NCc1cccs1)c1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is WLUQPQMHXUHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(19-12-15-7-4-10-23-15)17-11-16(13-8-9-13)20-21(17)14-5-2-1-3-6-14/h1-7,10-11,13H,8-9,12H2,(H,19,22).
What are the key properties of 3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide?
3-cyclopropyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.74, 5 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-(thiophen-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 9398113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).