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

C11H16N6O — CID 64545812

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(8(2)16-15-7)5-11(18)12-4-3-10-13-6-14-17-10/h6H,3-5H2,1-2H3,(H,12,18)(H,15,16)(H,13,14,17)
InChIKeyBMAZVQWCBIAUQF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.05
Rot. Bonds5

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64545812) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64545812
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-7-9(8(2)16-15-7)5-11(18)12-4-3-10-13-6-14-17-10/h6H,3-5H2,1-2H3,(H,12,18)(H,15,16)(H,13,14,17)
InChIKeyBMAZVQWCBIAUQF-UHFFFAOYSA-N
XLogP0.05
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64545812) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is Cc1n[nH]c(C)c1CC(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is BMAZVQWCBIAUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-9(8(2)16-15-7)5-11(18)12-4-3-10-13-6-14-17-10/h6H,3-5H2,1-2H3,(H,12,18)(H,15,16)(H,13,14,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 248.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64545812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).