5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide

C19H15ClF3N5O2 — CID 46885189

IUPAC5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1
InChIInChI=1S/C19H15ClF3N5O2/c20-12-6-7-15(26-10-12)18(30)25-9-8-24-17(29)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,29)(H,25,30)
InChIKeyKDQAPKJRHLBWJB-UHFFFAOYSA-N
MW437.81 g/mol
LogP3.10
Rot. Bonds6

About 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide

5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 46885189) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID46885189
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC Name5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1
InChIInChI=1S/C19H15ClF3N5O2/c20-12-6-7-15(26-10-12)18(30)25-9-8-24-17(29)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,29)(H,25,30)
InChIKeyKDQAPKJRHLBWJB-UHFFFAOYSA-N
XLogP3.10
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide 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 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide (CID 46885189) is 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide is O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is KDQAPKJRHLBWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c20-12-6-7-15(26-10-12)18(30)25-9-8-24-17(29)14-11-28(13-4-2-1-3-5-13)27-16(14)19(21,22)23/h1-7,10-11H,8-9H2,(H,24,29)(H,25,30).
What are the key properties of 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide?
5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 437.81 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 46885189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).