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

C20H17Cl2F3N4O2 — CID 19996056

IUPAC4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-3-15-16(22)17(29(2)28-15)18(30)26-9-11-4-6-13(7-5-11)31-19-14(21)8-12(10-27-19)20(23,24)25/h4-8,10H,3,9H2,1-2H3,(H,26,30)
InChIKeyYCURUJPTIQVBGB-UHFFFAOYSA-N
MW473.28 g/mol
LogP5.43
Rot. Bonds6

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

4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 19996056) has the molecular formula C20H17Cl2F3N4O2 and a molecular weight of 473.28 g/mol. Its IUPAC name is 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID19996056
Molecular FormulaC20H17Cl2F3N4O2
Molecular Weight473.28 g/mol
Exact Mass472.07
IUPAC Name4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1Cl
InChIInChI=1S/C20H17Cl2F3N4O2/c1-3-15-16(22)17(29(2)28-15)18(30)26-9-11-4-6-13(7-5-11)31-19-14(21)8-12(10-27-19)20(23,24)25/h4-8,10H,3,9H2,1-2H3,(H,26,30)
InChIKeyYCURUJPTIQVBGB-UHFFFAOYSA-N
XLogP5.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.28
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-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 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 19996056) is 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is YCURUJPTIQVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F3N4O2/c1-3-15-16(22)17(29(2)28-15)18(30)26-9-11-4-6-13(7-5-11)31-19-14(21)8-12(10-27-19)20(23,24)25/h4-8,10H,3,9H2,1-2H3,(H,26,30).
What are the key properties of 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 473.28 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19996056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).