2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine

C16H11Cl2F3N4O — CID 174353157

IUPAC2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine
SMILESNC(=O)c1cc(-n2nc(C(F)(F)F)cc2Cl)ccc1Cl.c1ccncc1
InChIInChI=1S/C11H6Cl2F3N3O.C5H5N/c12-7-2-1-5(3-6(7)10(17)20)19-9(13)4-8(18-19)11(14,15)16;1-2-4-6-5-3-1/h1-4H,(H2,17,20);1-5H
InChIKeyNXQSUKQNHGBIBH-UHFFFAOYSA-N
MW403.19 g/mol
LogP4.38
Rot. Bonds2

About 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine

2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine (PubChem CID 174353157) has the molecular formula C16H11Cl2F3N4O and a molecular weight of 403.19 g/mol. Its IUPAC name is 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine.

Molecular Properties

Compound Name2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine
PubChem CID174353157
Molecular FormulaC16H11Cl2F3N4O
Molecular Weight403.19 g/mol
Exact Mass402.03
IUPAC Name2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine
SMILESNC(=O)c1cc(-n2nc(C(F)(F)F)cc2Cl)ccc1Cl.c1ccncc1
InChIInChI=1S/C11H6Cl2F3N3O.C5H5N/c12-7-2-1-5(3-6(7)10(17)20)19-9(13)4-8(18-19)11(14,15)16;1-2-4-6-5-3-1/h1-4H,(H2,17,20);1-5H
InChIKeyNXQSUKQNHGBIBH-UHFFFAOYSA-N
XLogP4.38
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine 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-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine?
The IUPAC name of 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine (CID 174353157) is 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine.
What is the SMILES notation for 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine?
The canonical SMILES for 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine is NC(=O)c1cc(-n2nc(C(F)(F)F)cc2Cl)ccc1Cl.c1ccncc1.
What is the InChIKey of 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine?
The InChIKey is NXQSUKQNHGBIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O.C5H5N/c12-7-2-1-5(3-6(7)10(17)20)19-9(13)4-8(18-19)11(14,15)16;1-2-4-6-5-3-1/h1-4H,(H2,17,20);1-5H.
What are the key properties of 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine?
2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine has a molecular weight of 403.19 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]benzamide;pyridine is sourced from PubChem (CID 174353157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).