N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

C21H20FN7O — CID 57389637

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3
InChIKeyWNLPXECFJHLAQT-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 57389637) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID57389637
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3
InChIKeyWNLPXECFJHLAQT-UHFFFAOYSA-N
XLogP2.83
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)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 N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 57389637) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is WNLPXECFJHLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-2-27(21(30)17-5-3-4-6-20(17)29-24-10-11-25-29)13-14-28-12-9-19(26-28)18-8-7-16(22)15-23-18/h3-12,15H,2,13-14H2,1H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).