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

C11H16N6O — CID 86817328

IUPAC1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2nncn2C)cn1
InChIInChI=1S/C11H16N6O/c1-8(2)5-17-6-9(4-13-17)10(18)14-11-15-12-7-16(11)3/h4,6-8H,5H2,1-3H3,(H,14,15,18)
InChIKeySWQVNITWJOIKRJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.92
Rot. Bonds4

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

1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (PubChem CID 86817328) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
PubChem CID86817328
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
SMILESCC(C)Cn1cc(C(=O)Nc2nncn2C)cn1
InChIInChI=1S/C11H16N6O/c1-8(2)5-17-6-9(4-13-17)10(18)14-11-15-12-7-16(11)3/h4,6-8H,5H2,1-3H3,(H,14,15,18)
InChIKeySWQVNITWJOIKRJ-UHFFFAOYSA-N
XLogP0.92
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255887
1-[1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 62728545
N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75501457
N-[2-methyl-5-(methylcarbamoyl)phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75476323
2-fluoro-1-[1-(2-methylpropyl)pyrazol-4-yl]ethanone
CID 122192591
3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
CID 130993463
N-(6-hydroxy-1H-indazol-3-yl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 167777397
3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368
1-methyl-N-(4-methyl-1,2,4-triazol-3-yl)indole-3-carboxamide
CID 86794129
1-(2-methylpropyl)-N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 99797717
2-cyano-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 130645081
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 86796491

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide (CID 86817328) is 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is CC(C)Cn1cc(C(=O)Nc2nncn2C)cn1.
What is the InChIKey of 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is SWQVNITWJOIKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8(2)5-17-6-9(4-13-17)10(18)14-11-15-12-7-16(11)3/h4,6-8H,5H2,1-3H3,(H,14,15,18).
What are the key properties of 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide?
1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(4-methyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).