2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol

C17H12F4N2O — CID 1299057

IUPAC2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)nn1-c1ccccc1
InChIInChI=1S/C17H12F4N2O/c18-16(19)17(20,21)15-10-13(12-8-4-5-9-14(12)24)23(22-15)11-6-2-1-3-7-11/h1-10,16,24H
InChIKeySVVNXFBJVPDRDP-UHFFFAOYSA-N
MW336.29 g/mol
LogP4.60
Rot. Bonds4

About 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol

2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol (PubChem CID 1299057) has the molecular formula C17H12F4N2O and a molecular weight of 336.29 g/mol. Its IUPAC name is 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
PubChem CID1299057
Molecular FormulaC17H12F4N2O
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)nn1-c1ccccc1
InChIInChI=1S/C17H12F4N2O/c18-16(19)17(20,21)15-10-13(12-8-4-5-9-14(12)24)23(22-15)11-6-2-1-3-7-11/h1-10,16,24H
InChIKeySVVNXFBJVPDRDP-UHFFFAOYSA-N
XLogP4.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
3-tert-butyl-5-(2-chlorophenyl)-1-phenylpyrazole
CID 58688948
2-[1-(4-bromophenyl)-5-(2-chlorophenyl)pyrazol-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59631937
2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135536817
N-ethyl-N,5-dimethyl-2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 140973753
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
1-phenyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 22250323
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
S-[4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiohydroxylamine
CID 145117691
5-methoxy-1-phenyl-3-(trifluoromethyl)pyrazole
CID 22731897
[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl] 2,2-dimethylpropanoate
CID 42728026
1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
CID 174549054

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol (CID 1299057) is 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)C(F)F)nn1-c1ccccc1.
What is the InChIKey of 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol?
The InChIKey is SVVNXFBJVPDRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O/c18-16(19)17(20,21)15-10-13(12-8-4-5-9-14(12)24)23(22-15)11-6-2-1-3-7-11/h1-10,16,24H.
What are the key properties of 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol?
2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol has a molecular weight of 336.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 1299057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).