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

C11H16N6O — CID 129204806

IUPAC1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)n1nc(C(N)=O)c(-c2ncn[nH]2)c1C
InChIInChI=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)
InChIKeyCUGRFUAOWZEMDN-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.05
Rot. Bonds4

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 Name1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
PubChem CID129204806
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-butan-2-yl-5-methyl-4-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)n1nc(C(N)=O)c(-c2ncn[nH]2)c1C
InChIInChI=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)
InChIKeyCUGRFUAOWZEMDN-UHFFFAOYSA-N
XLogP1.05
TPSA102.48 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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).