2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

C21H16ClF3N4O — CID 152830795

IUPAC2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(/C=C/c2n[nH]c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)ccc23)cn1
InChIInChI=1S/C21H16ClF3N4O/c22-17-8-15(7-16(10-17)21(23,24)25)14-2-3-18-19(27-28-20(18)9-14)4-1-13-11-26-29(12-13)5-6-30/h1-4,7-12,30H,5-6H2,(H,27,28)/b4-1+
InChIKeySWEBCRMUVZABTA-DAFODLJHSA-N
MW432.83 g/mol
LogP5.26
Rot. Bonds5

About 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol

2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (PubChem CID 152830795) has the molecular formula C21H16ClF3N4O and a molecular weight of 432.83 g/mol. Its IUPAC name is 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
PubChem CID152830795
Molecular FormulaC21H16ClF3N4O
Molecular Weight432.83 g/mol
Exact Mass432.10
IUPAC Name2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(/C=C/c2n[nH]c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)ccc23)cn1
InChIInChI=1S/C21H16ClF3N4O/c22-17-8-15(7-16(10-17)21(23,24)25)14-2-3-18-19(27-28-20(18)9-14)4-1-13-11-26-29(12-13)5-6-30/h1-4,7-12,30H,5-6H2,(H,27,28)/b4-1+
InChIKeySWEBCRMUVZABTA-DAFODLJHSA-N
XLogP5.26
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.83
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 155076981
2-[4-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 122172910
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 174370726
3-[2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-fluoro-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-indazole
CID 156501285
1-[6-[2-[4-[3-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-1H-indazol-5-yl]phenyl]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]prop-2-en-1-one
CID 156792606
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477050
3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole
CID 141099178
2-[4-[(E)-2-[5-[(3,5-difluorophenyl)sulfonylamino]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]-N-methylacetamide
CID 156734170
8-[4-[7-[3-chloro-5-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]quinoline
CID 170290221

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol (CID 152830795) is 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is OCCn1cc(/C=C/c2n[nH]c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)ccc23)cn1.
What is the InChIKey of 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
The InChIKey is SWEBCRMUVZABTA-DAFODLJHSA-N. The full InChI is InChI=1S/C21H16ClF3N4O/c22-17-8-15(7-16(10-17)21(23,24)25)14-2-3-18-19(27-28-20(18)9-14)4-1-13-11-26-29(12-13)5-6-30/h1-4,7-12,30H,5-6H2,(H,27,28)/b4-1+.
What are the key properties of 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol?
2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol has a molecular weight of 432.83 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[6-[3-chloro-5-(trifluoromethyl)phenyl]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 152830795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).