1-(4-fluorophenyl)-5-(3-methylphenyl)indazole

C20H15FN2 — CID 46830798

IUPAC1-(4-fluorophenyl)-5-(3-methylphenyl)indazole
SMILESCc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H15FN2/c1-14-3-2-4-15(11-14)16-5-10-20-17(12-16)13-22-23(20)19-8-6-18(21)7-9-19/h2-13H,1H3
InChIKeyKTIZFJWMSMRJHW-UHFFFAOYSA-N
MW302.35 g/mol
LogP5.14
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole

1-(4-fluorophenyl)-5-(3-methylphenyl)indazole (PubChem CID 46830798) has the molecular formula C20H15FN2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-methylphenyl)indazole
PubChem CID46830798
Molecular FormulaC20H15FN2
Molecular Weight302.35 g/mol
Exact Mass302.12
IUPAC Name1-(4-fluorophenyl)-5-(3-methylphenyl)indazole
SMILESCc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H15FN2/c1-14-3-2-4-15(11-14)16-5-10-20-17(12-16)13-22-23(20)19-8-6-18(21)7-9-19/h2-13H,1H3
InChIKeyKTIZFJWMSMRJHW-UHFFFAOYSA-N
XLogP5.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.35
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nerispirdine
CID 3081185
1-benzyl-1H-indazole
CID 797066
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole (CID 46830798) is 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole is Cc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole?
The InChIKey is KTIZFJWMSMRJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2/c1-14-3-2-4-15(11-14)16-5-10-20-17(12-16)13-22-23(20)19-8-6-18(21)7-9-19/h2-13H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole?
1-(4-fluorophenyl)-5-(3-methylphenyl)indazole has a molecular weight of 302.35 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-methylphenyl)indazole is sourced from PubChem (CID 46830798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).