2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol

C18H16F3N3O — CID 142468276

IUPAC2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-11-22-24(12-13)9-10-25/h1-8,11-12,23,25H,9-10H2
InChIKeyHSGQPPCHEKHJKE-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol

2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (PubChem CID 142468276) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
PubChem CID142468276
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-11-22-24(12-13)9-10-25/h1-8,11-12,23,25H,9-10H2
InChIKeyHSGQPPCHEKHJKE-UHFFFAOYSA-N
XLogP4.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol (CID 142468276) is 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is OCCn1cc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is HSGQPPCHEKHJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-11-22-24(12-13)9-10-25/h1-8,11-12,23,25H,9-10H2.
What are the key properties of 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol?
2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 347.34 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 142468276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).