5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide

C18H16N6OS — CID 17409981

IUPAC5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C18H16N6OS/c1-13-17(22-24(21-13)14-6-3-2-4-7-14)18(25)20-16-9-10-19-23(16)12-15-8-5-11-26-15/h2-11H,12H2,1H3,(H,20,25)
InChIKeyMASWZSSFTGQDQL-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.13
Rot. Bonds5

About 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide

5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide (PubChem CID 17409981) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
PubChem CID17409981
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C18H16N6OS/c1-13-17(22-24(21-13)14-6-3-2-4-7-14)18(25)20-16-9-10-19-23(16)12-15-8-5-11-26-15/h2-11H,12H2,1H3,(H,20,25)
InChIKeyMASWZSSFTGQDQL-UHFFFAOYSA-N
XLogP3.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide (CID 17409981) is 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1cccs1.
What is the InChIKey of 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide?
The InChIKey is MASWZSSFTGQDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-13-17(22-24(21-13)14-6-3-2-4-7-14)18(25)20-16-9-10-19-23(16)12-15-8-5-11-26-15/h2-11H,12H2,1H3,(H,20,25).
What are the key properties of 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide?
5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 17409981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).