1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole

C17H11ClF4N2O — CID 144572904

IUPAC1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole
SMILESFCC(F)(F)Oc1cc(-c2ccnn2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H11ClF4N2O/c18-12-2-1-3-13(9-12)24-15(6-7-23-24)11-4-5-14(20)16(8-11)25-17(21,22)10-19/h1-9H,10H2
InChIKeyYQDOIGKWYDJKIN-UHFFFAOYSA-N
MW370.73 g/mol
LogP5.27
Rot. Bonds5

About 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole

1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole (PubChem CID 144572904) has the molecular formula C17H11ClF4N2O and a molecular weight of 370.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole
PubChem CID144572904
Molecular FormulaC17H11ClF4N2O
Molecular Weight370.73 g/mol
Exact Mass370.05
IUPAC Name1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole
SMILESFCC(F)(F)Oc1cc(-c2ccnn2-c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H11ClF4N2O/c18-12-2-1-3-13(9-12)24-15(6-7-23-24)11-4-5-14(20)16(8-11)25-17(21,22)10-19/h1-9H,10H2
InChIKeyYQDOIGKWYDJKIN-UHFFFAOYSA-N
XLogP5.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(3-chlorophenyl)pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
CID 70299776
3-[2-(3-chlorophenyl)pyrazol-3-yl]-1-(4-ethyl-2-fluorophenyl)-5-methoxypyridazin-4-one
CID 129234806
2-chloro-4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 118555324
1-(3-fluorophenyl)-5-[3-(4-fluorophenyl)phenyl]pyrazole
CID 174813852
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CID 16776531
1-(3-chlorophenyl)-5-(3,4-difluorophenyl)pyrazole-3-carboxylic acid
CID 58277418
4-[2-(3-fluorophenyl)pyrazol-3-yl]pyridine
CID 56956145
2-chloro-4-[2-[3-(2-methylhexan-2-yl)phenyl]pyrazol-3-yl]pyridine
CID 175292458
1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole
CID 118244564
2-chloro-5-(2-phenylpyrazol-3-yl)benzoic acid
CID 107330966
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole?
The IUPAC name of 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole (CID 144572904) is 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole is FCC(F)(F)Oc1cc(-c2ccnn2-c2cccc(Cl)c2)ccc1F.
What is the InChIKey of 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole?
The InChIKey is YQDOIGKWYDJKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O/c18-12-2-1-3-13(9-12)24-15(6-7-23-24)11-4-5-14(20)16(8-11)25-17(21,22)10-19/h1-9H,10H2.
What are the key properties of 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole?
1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole has a molecular weight of 370.73 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[4-fluoro-3-(1,1,2-trifluoroethoxy)phenyl]pyrazole is sourced from PubChem (CID 144572904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).