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

C20H12FN3 — CID 46830796

IUPAC4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H12FN3/c21-18-6-8-19(9-7-18)24-20-10-5-16(11-17(20)13-23-24)15-3-1-14(12-22)2-4-15/h1-11,13H
InChIKeyWCYCETJNKIDBFS-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.70
Rot. Bonds2

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

4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (PubChem CID 46830796) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
PubChem CID46830796
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H12FN3/c21-18-6-8-19(9-7-18)24-20-10-5-16(11-17(20)13-23-24)15-3-1-14(12-22)2-4-15/h1-11,13H
InChIKeyWCYCETJNKIDBFS-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

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
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504
2-[1-(4-Fluorophenyl)indazol-5-yl]benzonitrile
CID 46830507
US11168082, Cpd. No. 65
CID 142474852
US11168082, Cpd. No. 63
CID 142474955
US11168082, Cpd. No. 54
CID 146564934
US11787780, Example 138
CID 166916528

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The IUPAC name of 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile (CID 46830796) is 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The canonical SMILES for 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is N#Cc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
The InChIKey is WCYCETJNKIDBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-18-6-8-19(9-7-18)24-20-10-5-16(11-17(20)13-23-24)15-3-1-14(12-22)2-4-15/h1-11,13H.
What are the key properties of 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile?
4-[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 4-[1-(4-fluorophenyl)indazol-5-yl]benzonitrile is sourced from PubChem (CID 46830796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).