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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)triazole-4-carboxamide
CID 55975691
1-(2-fluorophenyl)-5-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56281686
1-(4-fluorophenyl)-5-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56282002
1-(4-fluorophenyl)-5-propan-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
CID 56436372
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56555612
1-(4-fluorophenyl)-3,5-dimethyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56555616
5-chloro-1-(4-fluorophenyl)-3-methyl-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56555681
1-(2-methylphenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56555874
1-(4-methylphenyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56555904
5-cyclopropyl-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-1-(4-fluorophenyl)triazole-4-carboxamide
CID 60322891
5-cyclopropyl-N-[5-(3,5-dimethylphenyl)-1H-pyrazol-3-yl]-1-(3-fluorophenyl)triazole-4-carboxamide
CID 60322927
3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide
CID 22176656

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).