N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide

C14H15N7O — CID 29001695

IUPACN-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ccc(-c3ccncc3)n2)n1
InChIInChI=1S/C14H15N7O/c1-2-21-16-9-13(19-21)17-14(22)10-20-8-5-12(18-20)11-3-6-15-7-4-11/h3-9H,2,10H2,1H3,(H,17,19,22)
InChIKeyAULXUAJLNBCLJW-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.20
Rot. Bonds5

About N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide

N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide (PubChem CID 29001695) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
PubChem CID29001695
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2ccc(-c3ccncc3)n2)n1
InChIInChI=1S/C14H15N7O/c1-2-21-16-9-13(19-21)17-14(22)10-20-8-5-12(18-20)11-3-6-15-7-4-11/h3-9H,2,10H2,1H3,(H,17,19,22)
InChIKeyAULXUAJLNBCLJW-UHFFFAOYSA-N
XLogP1.20
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide (CID 29001695) is N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide is CCn1ncc(NC(=O)Cn2ccc(-c3ccncc3)n2)n1.
What is the InChIKey of N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide?
The InChIKey is AULXUAJLNBCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-2-21-16-9-13(19-21)17-14(22)10-20-8-5-12(18-20)11-3-6-15-7-4-11/h3-9H,2,10H2,1H3,(H,17,19,22).
What are the key properties of N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide?
N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltriazol-4-yl)-2-(3-pyridin-4-ylpyrazol-1-yl)acetamide is sourced from PubChem (CID 29001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).