5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C20H24N6O — CID 155947831

IUPAC5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(C3CC3C)[nH]n2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C20H24N6O/c1-11(2)14-7-5-6-8-17(14)26-13(4)21-19(25-26)20(27)22-18-10-16(23-24-18)15-9-12(15)3/h5-8,10-12,15H,9H2,1-4H3,(H2,22,23,24,27)
InChIKeyBBDODNURNKQXMW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.80
Rot. Bonds5

About 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 155947831) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID155947831
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2cc(C3CC3C)[nH]n2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C20H24N6O/c1-11(2)14-7-5-6-8-17(14)26-13(4)21-19(25-26)20(27)22-18-10-16(23-24-18)15-9-12(15)3/h5-8,10-12,15H,9H2,1-4H3,(H2,22,23,24,27)
InChIKeyBBDODNURNKQXMW-UHFFFAOYSA-N
XLogP3.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 155947831) is 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)Nc2cc(C3CC3C)[nH]n2)nn1-c1ccccc1C(C)C.
What is the InChIKey of 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is BBDODNURNKQXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-11(2)14-7-5-6-8-17(14)26-13(4)21-19(25-26)20(27)22-18-10-16(23-24-18)15-9-12(15)3/h5-8,10-12,15H,9H2,1-4H3,(H2,22,23,24,27).
What are the key properties of 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(2-methylcyclopropyl)-1H-pyrazol-3-yl]-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155947831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).