5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide

C20H18N6OS — CID 56555839

IUPAC5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3nnn(-c4ccccc4)c3C3CC3)n[nH]2)s1
InChIInChI=1S/C20H18N6OS/c1-12-7-10-16(28-12)15-11-17(23-22-15)21-20(27)18-19(13-8-9-13)26(25-24-18)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H2,21,22,23,27)
InChIKeyCSZDDSOOVKMWGQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.16
Rot. Bonds5

About 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide

5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide (PubChem CID 56555839) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide
PubChem CID56555839
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3nnn(-c4ccccc4)c3C3CC3)n[nH]2)s1
InChIInChI=1S/C20H18N6OS/c1-12-7-10-16(28-12)15-11-17(23-22-15)21-20(27)18-19(13-8-9-13)26(25-24-18)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H2,21,22,23,27)
InChIKeyCSZDDSOOVKMWGQ-UHFFFAOYSA-N
XLogP4.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide (CID 56555839) is 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide is Cc1ccc(-c2cc(NC(=O)c3nnn(-c4ccccc4)c3C3CC3)n[nH]2)s1.
What is the InChIKey of 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide?
The InChIKey is CSZDDSOOVKMWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-12-7-10-16(28-12)15-11-17(23-22-15)21-20(27)18-19(13-8-9-13)26(25-24-18)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3,(H2,21,22,23,27).
What are the key properties of 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide?
5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 56555839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).