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

C19H17N7O — CID 50949722

IUPAC3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H17N7O/c27-19(14-4-1-6-16(12-14)26-11-3-9-22-26)21-10-7-17-23-18(25-24-17)15-5-2-8-20-13-15/h1-6,8-9,11-13H,7,10H2,(H,21,27)(H,23,24,25)
InChIKeyVVHRTXVRHQQTMT-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.02
Rot. Bonds6

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

3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 50949722) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID50949722
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESO=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H17N7O/c27-19(14-4-1-6-16(12-14)26-11-3-9-22-26)21-10-7-17-23-18(25-24-17)15-5-2-8-20-13-15/h1-6,8-9,11-13H,7,10H2,(H,21,27)(H,23,24,25)
InChIKeyVVHRTXVRHQQTMT-UHFFFAOYSA-N
XLogP2.02
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide 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 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 50949722) is 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is VVHRTXVRHQQTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c27-19(14-4-1-6-16(12-14)26-11-3-9-22-26)21-10-7-17-23-18(25-24-17)15-5-2-8-20-13-15/h1-6,8-9,11-13H,7,10H2,(H,21,27)(H,23,24,25).
What are the key properties of 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 50949722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).