N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide

C16H18N6O — CID 155952328

IUPACN-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1cnn(C)c1
InChIInChI=1S/C16H18N6O/c1-3-21(15-11-17-20(2)12-15)16(23)9-13-10-18-22(19-13)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3
InChIKeyGAKLPQKZEAASCX-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.60
Rot. Bonds5

About N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide

N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide (PubChem CID 155952328) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide
PubChem CID155952328
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide
SMILESCCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1cnn(C)c1
InChIInChI=1S/C16H18N6O/c1-3-21(15-11-17-20(2)12-15)16(23)9-13-10-18-22(19-13)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3
InChIKeyGAKLPQKZEAASCX-UHFFFAOYSA-N
XLogP1.60
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide (CID 155952328) is N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide is CCN(C(=O)Cc1cnn(-c2ccccc2)n1)c1cnn(C)c1.
What is the InChIKey of N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide?
The InChIKey is GAKLPQKZEAASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-21(15-11-17-20(2)12-15)16(23)9-13-10-18-22(19-13)14-7-5-4-6-8-14/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide?
N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide is sourced from PubChem (CID 155952328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).