3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile

C20H12FN3 — CID 46830795

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H12FN3/c21-18-5-7-19(8-6-18)24-20-9-4-16(11-17(20)13-23-24)15-3-1-2-14(10-15)12-22/h1-11,13H
InChIKeyIUMAGUPBPGESDT-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.70
Rot. Bonds2

About 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile

3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (PubChem CID 46830795) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
PubChem CID46830795
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H12FN3/c21-18-5-7-19(8-6-18)24-20-9-4-16(11-17(20)13-23-24)15-3-1-2-14(10-15)12-22/h1-11,13H
InChIKeyIUMAGUPBPGESDT-UHFFFAOYSA-N
XLogP4.70
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
1-Phenyl-1H-indazole
CID 304268
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
1H-Pyrazole-4-carbonitrile, 1,3-diphenyl-
CID 700979
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (CID 46830795) is 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The InChIKey is IUMAGUPBPGESDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-18-5-7-19(8-6-18)24-20-9-4-16(11-17(20)13-23-24)15-3-1-2-14(10-15)12-22/h1-11,13H.
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile has a molecular weight of 313.34 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is sourced from PubChem (CID 46830795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).