2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide

C14H15N7O — CID 121198041

IUPAC2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cn(-c2cccnc2)nn1)n1cccn1
InChIInChI=1S/C14H15N7O/c1-11(20-7-3-6-17-20)14(22)16-8-12-10-21(19-18-12)13-4-2-5-15-9-13/h2-7,9-11H,8H2,1H3,(H,16,22)
InChIKeyQEDXDWDIWJFVSW-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.74
Rot. Bonds5

About 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide

2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide (PubChem CID 121198041) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
PubChem CID121198041
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cn(-c2cccnc2)nn1)n1cccn1
InChIInChI=1S/C14H15N7O/c1-11(20-7-3-6-17-20)14(22)16-8-12-10-21(19-18-12)13-4-2-5-15-9-13/h2-7,9-11H,8H2,1H3,(H,16,22)
InChIKeyQEDXDWDIWJFVSW-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide 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-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide (CID 121198041) is 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide is CC(C(=O)NCc1cn(-c2cccnc2)nn1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
The InChIKey is QEDXDWDIWJFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-11(20-7-3-6-17-20)14(22)16-8-12-10-21(19-18-12)13-4-2-5-15-9-13/h2-7,9-11H,8H2,1H3,(H,16,22).
What are the key properties of 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide?
2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide has a molecular weight of 297.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]propanamide is sourced from PubChem (CID 121198041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).