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

C14H19N7O — CID 167950550

IUPACN-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2ccn(CCC#N)n2)n(C)n1
InChIInChI=1S/C14H19N7O/c1-10(2)14-17-12(20(3)19-14)9-13(22)16-11-5-8-21(18-11)7-4-6-15/h5,8,10H,4,7,9H2,1-3H3,(H,16,18,22)
InChIKeyWNMCHRDQFQUYHF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.23
Rot. Bonds6

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

N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 167950550) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID167950550
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2ccn(CCC#N)n2)n(C)n1
InChIInChI=1S/C14H19N7O/c1-10(2)14-17-12(20(3)19-14)9-13(22)16-11-5-8-21(18-11)7-4-6-15/h5,8,10H,4,7,9H2,1-3H3,(H,16,18,22)
InChIKeyWNMCHRDQFQUYHF-UHFFFAOYSA-N
XLogP1.23
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)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 N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide (CID 167950550) is N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is CC(C)c1nc(CC(=O)Nc2ccn(CCC#N)n2)n(C)n1.
What is the InChIKey of N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WNMCHRDQFQUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-10(2)14-17-12(20(3)19-14)9-13(22)16-11-5-8-21(18-11)7-4-6-15/h5,8,10H,4,7,9H2,1-3H3,(H,16,18,22).
What are the key properties of N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide?
N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)pyrazol-3-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 167950550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).