N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

C21H20FN7O — CID 57388812

IUPACN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)CCn2cc(-c3ccc(F)cn3)cn2)c1
InChIInChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3
InChIKeyWQFVGTASYSVBKL-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.75
Rot. Bonds6

About N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide

N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (PubChem CID 57388812) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
PubChem CID57388812
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)N(C)CCn2cc(-c3ccc(F)cn3)cn2)c1
InChIInChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3
InChIKeyWQFVGTASYSVBKL-UHFFFAOYSA-N
XLogP2.75
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-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-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide (CID 57388812) is N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)N(C)CCn2cc(-c3ccc(F)cn3)cn2)c1.
What is the InChIKey of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
The InChIKey is WQFVGTASYSVBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-15-3-6-20(29-24-7-8-25-29)18(11-15)21(30)27(2)9-10-28-14-16(12-26-28)19-5-4-17(22)13-23-19/h3-8,11-14H,9-10H2,1-2H3.
What are the key properties of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide?
N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-N,5-dimethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57388812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).