1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile

C19H10F4N4O — CID 66898006

IUPAC1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile
SMILESN#Cc1c(-c2cn[nH]c2C(F)(F)F)n(-c2ccc(O)cc2F)c2ccccc12
InChIInChI=1S/C19H10F4N4O/c20-14-7-10(28)5-6-16(14)27-15-4-2-1-3-11(15)12(8-24)17(27)13-9-25-26-18(13)19(21,22)23/h1-7,9,28H,(H,25,26)
InChIKeyVCKBPBIWRCWKIO-UHFFFAOYSA-N
MW386.31 g/mol
LogP4.76
Rot. Bonds2

About 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile

1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile (PubChem CID 66898006) has the molecular formula C19H10F4N4O and a molecular weight of 386.31 g/mol. Its IUPAC name is 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile
PubChem CID66898006
Molecular FormulaC19H10F4N4O
Molecular Weight386.31 g/mol
Exact Mass386.08
IUPAC Name1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile
SMILESN#Cc1c(-c2cn[nH]c2C(F)(F)F)n(-c2ccc(O)cc2F)c2ccccc12
InChIInChI=1S/C19H10F4N4O/c20-14-7-10(28)5-6-16(14)27-15-4-2-1-3-11(15)12(8-24)17(27)13-9-25-26-18(13)19(21,22)23/h1-7,9,28H,(H,25,26)
InChIKeyVCKBPBIWRCWKIO-UHFFFAOYSA-N
XLogP4.76
TPSA77.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2-fluoro-4-hydroxyphenyl)indole-3-carbonitrile
CID 66898110
2-fluoro-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
CID 145028312
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
2-carbazol-9-yl-3,5,6-trifluorobenzonitrile
CID 146406018
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
3,4-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-5,6-di(carbazol-9-yl)benzene-1,2-dicarbonitrile
CID 137368920
9-[4-carbazol-9-yl-2,5-bis(trifluoromethyl)phenyl]carbazole
CID 135136219
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249
2-tert-butyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877416
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
2,4,5,6-tetrakis[2-(trifluoromethyl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146532465

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile?
The IUPAC name of 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile (CID 66898006) is 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile is N#Cc1c(-c2cn[nH]c2C(F)(F)F)n(-c2ccc(O)cc2F)c2ccccc12.
What is the InChIKey of 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile?
The InChIKey is VCKBPBIWRCWKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N4O/c20-14-7-10(28)5-6-16(14)27-15-4-2-1-3-11(15)12(8-24)17(27)13-9-25-26-18(13)19(21,22)23/h1-7,9,28H,(H,25,26).
What are the key properties of 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile?
1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile has a molecular weight of 386.31 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-hydroxyphenyl)-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]indole-3-carbonitrile is sourced from PubChem (CID 66898006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).