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

C21H17FN2O — CID 46830801

IUPAC5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
SMILESCCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3
InChIKeyGHPKGWAUDHFBQX-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.23
Rot. Bonds4

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

5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole (PubChem CID 46830801) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
PubChem CID46830801
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
SMILESCCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3
InChIKeyGHPKGWAUDHFBQX-UHFFFAOYSA-N
XLogP5.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imp-1088
CID 132274735
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]-7-methylindazol-1-yl]acetate
CID 73388400
Methyl 2-[3-(2-fluoro-5-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506474
Methyl 2-[3-[5-(3-cyclohexylpropoxy)-2-fluorophenyl]indazol-1-yl]acetate
CID 73507350
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2,2-dimethyl-propanamide
CID 25012190
Methyl 2-[3-(2-fluoro-3-phenylmethoxyphenyl)indazol-1-yl]acetate
CID 73506263
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]propanamide
CID 145965573
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]acetamide
CID 145976724

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The IUPAC name of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole (CID 46830801) is 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole.
What is the SMILES notation for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The canonical SMILES for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole is CCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The InChIKey is GHPKGWAUDHFBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3.
What are the key properties of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole has a molecular weight of 332.38 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole is sourced from PubChem (CID 46830801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).