1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole

C21H19F3N2O — CID 90761360

IUPAC1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)16-7-11-19(12-8-16)27-18-9-5-15(6-10-18)20-13-14-26(25-20)17-3-1-2-4-17/h5-14,17H,1-4H2
InChIKeyGZZWXFMUAMJMHV-UHFFFAOYSA-N
MW372.39 g/mol
LogP6.48
Rot. Bonds4

About 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole

1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole (PubChem CID 90761360) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
PubChem CID90761360
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
SMILESFC(F)(F)c1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)16-7-11-19(12-8-16)27-18-9-5-15(6-10-18)20-13-14-26(25-20)17-3-1-2-4-17/h5-14,17H,1-4H2
InChIKeyGZZWXFMUAMJMHV-UHFFFAOYSA-N
XLogP6.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole 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 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole (CID 90761360) is 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole is FC(F)(F)c1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole?
The InChIKey is GZZWXFMUAMJMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)16-7-11-19(12-8-16)27-18-9-5-15(6-10-18)20-13-14-26(25-20)17-3-1-2-4-17/h5-14,17H,1-4H2.
What are the key properties of 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole?
1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole has a molecular weight of 372.39 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole is sourced from PubChem (CID 90761360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).