2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide

C10H14N6O — CID 46988180

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cn(C)nn2)n1
InChIInChI=1S/C10H14N6O/c1-7-4-8(2)16(13-7)6-10(17)11-9-5-15(3)14-12-9/h4-5H,6H2,1-3H3,(H,11,17)
InChIKeyROHSNEGGSVWEFS-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.27
Rot. Bonds3

About 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide (PubChem CID 46988180) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide
PubChem CID46988180
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2cn(C)nn2)n1
InChIInChI=1S/C10H14N6O/c1-7-4-8(2)16(13-7)6-10(17)11-9-5-15(3)14-12-9/h4-5H,6H2,1-3H3,(H,11,17)
InChIKeyROHSNEGGSVWEFS-UHFFFAOYSA-N
XLogP0.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide (CID 46988180) is 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2cn(C)nn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide?
The InChIKey is ROHSNEGGSVWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7-4-8(2)16(13-7)6-10(17)11-9-5-15(3)14-12-9/h4-5H,6H2,1-3H3,(H,11,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(1-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46988180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).