N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C20H15ClF6N4O2 — CID 123680885

IUPACN-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H15ClF6N4O2/c1-10(29-17(32)14-9-31(2)30-16(14)20(25,26)27)11-3-5-13(6-4-11)33-18-15(21)7-12(8-28-18)19(22,23)24/h3-10H,1-2H3,(H,29,32)
InChIKeyCMQCYQDZGPGUQK-UHFFFAOYSA-N
MW492.81 g/mol
LogP5.79
Rot. Bonds5

About N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 123680885) has the molecular formula C20H15ClF6N4O2 and a molecular weight of 492.81 g/mol. Its IUPAC name is N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID123680885
Molecular FormulaC20H15ClF6N4O2
Molecular Weight492.81 g/mol
Exact Mass492.08
IUPAC NameN-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C20H15ClF6N4O2/c1-10(29-17(32)14-9-31(2)30-16(14)20(25,26)27)11-3-5-13(6-4-11)33-18-15(21)7-12(8-28-18)19(22,23)24/h3-10H,1-2H3,(H,29,32)
InChIKeyCMQCYQDZGPGUQK-UHFFFAOYSA-N
XLogP5.79
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.81
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-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 N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 123680885) is N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(NC(=O)c1cn(C)nc1C(F)(F)F)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CMQCYQDZGPGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF6N4O2/c1-10(29-17(32)14-9-31(2)30-16(14)20(25,26)27)11-3-5-13(6-4-11)33-18-15(21)7-12(8-28-18)19(22,23)24/h3-10H,1-2H3,(H,29,32).
What are the key properties of N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 492.81 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 123680885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).