2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C15H16N6O2 — CID 75489297

IUPAC2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C15H16N6O2/c1-9-12(7-13(22)18-15-16-8-17-21-15)14(20-19-9)10-3-5-11(23-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21,22)
InChIKeyIONZTIAFAAWVJM-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.69
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 75489297) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID75489297
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C15H16N6O2/c1-9-12(7-13(22)18-15-16-8-17-21-15)14(20-19-9)10-3-5-11(23-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21,22)
InChIKeyIONZTIAFAAWVJM-UHFFFAOYSA-N
XLogP1.69
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 75489297) is 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is COc1ccc(-c2n[nH]c(C)c2CC(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is IONZTIAFAAWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-9-12(7-13(22)18-15-16-8-17-21-15)14(20-19-9)10-3-5-11(23-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,19,20)(H2,16,17,18,21,22).
What are the key properties of 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 75489297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).