1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide

C11H16N6O — CID 75484339

IUPAC1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(CC(C)C)c2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-7(2)5-17-6-9(4-12-17)10(18)14-11-13-8(3)15-16-11/h4,6-7H,5H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyLKCZQUQYTGMTIH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.22
Rot. Bonds4

About 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide

1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (PubChem CID 75484339) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
PubChem CID75484339
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(CC(C)C)c2)n[nH]1
InChIInChI=1S/C11H16N6O/c1-7(2)5-17-6-9(4-12-17)10(18)14-11-13-8(3)15-16-11/h4,6-7H,5H2,1-3H3,(H2,13,14,15,16,18)
InChIKeyLKCZQUQYTGMTIH-UHFFFAOYSA-N
XLogP1.22
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (CID 75484339) is 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is Cc1nc(NC(=O)c2cnn(CC(C)C)c2)n[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is LKCZQUQYTGMTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)5-17-6-9(4-12-17)10(18)14-11-13-8(3)15-16-11/h4,6-7H,5H2,1-3H3,(H2,13,14,15,16,18).
What are the key properties of 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75484339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).