2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol

C19H13F4N3O — CID 141205017

IUPAC2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(c1cc[nH]c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C19H13F4N3O/c20-15-2-4-16(5-3-15)26-17-6-1-13(9-12(17)10-25-26)18(27,19(21,22)23)14-7-8-24-11-14/h1-11,24,27H
InChIKeyORCGOSJKNBCFDP-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.29
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol

2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol (PubChem CID 141205017) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
PubChem CID141205017
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol
SMILESOC(c1cc[nH]c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F
InChIInChI=1S/C19H13F4N3O/c20-15-2-4-16(5-3-15)26-17-6-1-13(9-12(17)10-25-26)18(27,19(21,22)23)14-7-8-24-11-14/h1-11,24,27H
InChIKeyORCGOSJKNBCFDP-UHFFFAOYSA-N
XLogP4.29
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-indol-3-yl)ethanol
CID 143372133
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1-phenylindazol-5-yl)ethanol
CID 15980364
7-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 135907850
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(7-hydroxypyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 59437236
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980493
1-[3-[(1R)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indol-1-yl]propan-2-ol
CID 24961290
2-[2-cyano-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrol-1-yl]acetamide
CID 24958733
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-1-(1-phenylindazol-5-yl)ethanol
CID 15980495
2-[2-cyano-4-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]pyrrol-1-yl]-N-methylacetamide
CID 24958734
1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol
CID 68983587
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-[1-(4-methylphenyl)indazol-5-yl]ethanol
CID 141157758
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]ethanol
CID 24962380

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol (CID 141205017) is 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol is OC(c1cc[nH]c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol?
The InChIKey is ORCGOSJKNBCFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-15-2-4-16(5-3-15)26-17-6-1-13(9-12(17)10-25-26)18(27,19(21,22)23)14-7-8-24-11-14/h1-11,24,27H.
What are the key properties of 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol?
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol has a molecular weight of 375.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrol-3-yl)ethanol is sourced from PubChem (CID 141205017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).