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

C11H16N6O — CID 46990903

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N6O/c1-4-17-12-6-10(15-17)13-11(18)7-16-9(3)5-8(2)14-16/h5-6H,4,7H2,1-3H3,(H,13,15,18)
InChIKeyBCJSSXLAICZHBU-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.75
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide (PubChem CID 46990903) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
PubChem CID46990903
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N6O/c1-4-17-12-6-10(15-17)13-11(18)7-16-9(3)5-8(2)14-16/h5-6H,4,7H2,1-3H3,(H,13,15,18)
InChIKeyBCJSSXLAICZHBU-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
CID 46982211
2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
CID 46983725
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927996
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261540
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-ethylbutanoic acid
CID 79807385

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide (CID 46990903) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide is CCn1ncc(NC(=O)Cn2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide?
The InChIKey is BCJSSXLAICZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-17-12-6-10(15-17)13-11(18)7-16-9(3)5-8(2)14-16/h5-6H,4,7H2,1-3H3,(H,13,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.75, 4 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-(2-ethyltriazol-4-yl)acetamide is sourced from PubChem (CID 46990903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).