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

C₁₁H₁₆N₆O — CID 129204806

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

1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (PubChem CID 129204806) has the molecular formula C₁₁H₁₆N₆O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
• PubChem CID: 129204806
• Molecular Formula: C₁₁H₁₆N₆O
• Molecular Weight: 248.29 g/mol
• Exact Mass: 248.14
• IUPAC Name: 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
• SMILES: CCC(C)n1nc(C(N)=O)c(-c2ncn[nH]2)c1C
• InChI: InChI=1S/C11H16N6O/c1-4-6(2)17-7(3)8(9(16-17)10(12)18)11-13-5-14-15-11/h5-6H,4H2,1-3H3,(H2,12,18)(H,13,14,15)
• InChIKey: CUGRFUAOWZEMDN-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 102.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.29
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?

The IUPAC name of 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (CID 129204806) is 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?

The canonical SMILES for 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is CCC(C)n1nc(C(N)=O)c(-c2ncn[nH]2)c1C.

What is the InChIKey of 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?

The InChIKey is CUGRFUAOWZEMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-6(2)17-7(3)8(9(16-17)10(12)18)11-13-5-14-15-11/h5-6H,4H2,1-3H3,(H2,12,18)(H,13,14,15).

What are the key properties of 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?

1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 129204806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129204806 — identifiers, structure, computed properties (public domain)

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