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

C21H19F3N2O2 — CID 90735139

IUPAC1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole
SMILESFC(F)(F)Oc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)28-19-11-9-18(10-12-19)27-17-7-5-15(6-8-17)20-13-14-26(25-20)16-3-1-2-4-16/h5-14,16H,1-4H2
InChIKeyHQFJOWOREYLEEB-UHFFFAOYSA-N
MW388.39 g/mol
LogP6.36
Rot. Bonds5

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

1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole (PubChem CID 90735139) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole
PubChem CID90735139
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole
SMILESFC(F)(F)Oc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)28-19-11-9-18(10-12-19)27-17-7-5-15(6-8-17)20-13-14-26(25-20)16-3-1-2-4-16/h5-14,16H,1-4H2
InChIKeyHQFJOWOREYLEEB-UHFFFAOYSA-N
XLogP6.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrazole
CID 90761360
1-cyclopentyl-3-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 174444259
3-(4-phenoxyphenyl)-1-[(3R)-1-[2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]pyrazole
CID 175373589
5-chloro-2-[4-(1-piperidin-3-ylpyrazol-3-yl)phenoxy]pyridine
CID 175006327
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 155338075
(3S,8aR)-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 68994105
1-(1-cyclopentylpyrazol-3-yl)-4-(4-methoxyphenyl)triazole
CID 170459331
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
3-(4-cyclopropylphenyl)-1-(oxan-4-yl)pyrazole
CID 166304772
4-cyclopropyl-3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole-5-thione
CID 116628946
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
1-cyclopentyl-4-[3-[4-(trifluoromethoxy)phenoxy]prop-1-en-2-yl]piperazine
CID 89134490

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole (CID 90735139) is 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole is FC(F)(F)Oc1ccc(Oc2ccc(-c3ccn(C4CCCC4)n3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole?
The InChIKey is HQFJOWOREYLEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)28-19-11-9-18(10-12-19)27-17-7-5-15(6-8-17)20-13-14-26(25-20)16-3-1-2-4-16/h5-14,16H,1-4H2.
What are the key properties of 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole?
1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole has a molecular weight of 388.39 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyrazole is sourced from PubChem (CID 90735139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).