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

C19H22N6O2 — CID 46983725

IUPAC2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C)c(-c3cccc(C(C)=O)c3)c2C)n1
InChIInChI=1S/C19H22N6O2/c1-5-25-20-10-17(23-25)21-18(27)11-24-13(3)19(12(2)22-24)16-8-6-7-15(9-16)14(4)26/h6-10H,5,11H2,1-4H3,(H,21,23,27)
InChIKeyWIUFYDIPNYVPDN-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.62
Rot. Bonds6

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

2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (PubChem CID 46983725) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
PubChem CID46983725
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C)c(-c3cccc(C(C)=O)c3)c2C)n1
InChIInChI=1S/C19H22N6O2/c1-5-25-20-10-17(23-25)21-18(27)11-24-13(3)19(12(2)22-24)16-8-6-7-15(9-16)14(4)26/h6-10H,5,11H2,1-4H3,(H,21,23,27)
InChIKeyWIUFYDIPNYVPDN-UHFFFAOYSA-N
XLogP2.62
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(2-ethyltriazol-4-yl)acetamide
CID 46990903
1-[3-(1-ethyl-5-methylpyrazol-4-yl)phenyl]ethanone
CID 66096178
N-(2-ethyltriazol-4-yl)-2-[5-(2-methylphenyl)indazol-1-yl]acetamide
CID 46982211
2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46991343
2-(3,5-dimethyl-4-pyridin-4-ylpyrazol-1-yl)-N-(1-methylindazol-3-yl)acetamide
CID 46983889
N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829
2-[3,5-dimethyl-4-(6-methyl-3-pyridinyl)pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide
CID 161366452
3-[1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-imidazol-1-ylethyl)benzamide
CID 118771858
N-(3-chlorophenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 5299196
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-[5-[(E)-hept-3-en-4-yl]-2-pyridinyl]acetamide
CID 167075120
2-[4-[6-(dimethylamino)-3-pyridinyl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121280404
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide (CID 46983725) is 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is CCn1ncc(NC(=O)Cn2nc(C)c(-c3cccc(C(C)=O)c3)c2C)n1.
What is the InChIKey of 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
The InChIKey is WIUFYDIPNYVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-5-25-20-10-17(23-25)21-18(27)11-24-13(3)19(12(2)22-24)16-8-6-7-15(9-16)14(4)26/h6-10H,5,11H2,1-4H3,(H,21,23,27).
What are the key properties of 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide?
2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide has a molecular weight of 366.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide is sourced from PubChem (CID 46983725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).