2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol

C24H25FN2O2 — CID 66919428

IUPAC2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C
InChIInChI=1S/C24H25FN2O2/c1-16-12-21-17(15-26-27(21)19-10-8-18(25)9-11-19)13-24(16,2)14-22(28)20-6-4-5-7-23(20)29-3/h4-12,15,22,28H,13-14H2,1-3H3
InChIKeyRCZLRKMFXXATKP-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.11
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol

2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol (PubChem CID 66919428) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
PubChem CID66919428
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C
InChIInChI=1S/C24H25FN2O2/c1-16-12-21-17(15-26-27(21)19-10-8-18(25)9-11-19)13-24(16,2)14-22(28)20-6-4-5-7-23(20)29-3/h4-12,15,22,28H,13-14H2,1-3H3
InChIKeyRCZLRKMFXXATKP-UHFFFAOYSA-N
XLogP5.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
(5R)-1-(4-fluorophenyl)-5-(2-methoxy-2-naphthalen-1-ylethyl)-5,6-dimethyl-4H-indazole
CID 15604975
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
(5R)-5-[2-ethoxy-2-(3-methylphenyl)ethyl]-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
CID 15605047
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-6-phenyl-4H-indazole
CID 66919542
1-(4-fluorophenyl)-5,6-dimethyl-5-(2-phenylethenyl)-4H-indazole
CID 66919534
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
CID 173382149
2-[1-(4-fluorophenyl)-4a-methyl-5-(2-methylpropoxymethyl)-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-1-phenylethanol
CID 91192428
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 173382158

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol (CID 66919428) is 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)CC1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C.
What is the InChIKey of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol?
The InChIKey is RCZLRKMFXXATKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-16-12-21-17(15-26-27(21)19-10-8-18(25)9-11-19)13-24(16,2)14-22(28)20-6-4-5-7-23(20)29-3/h4-12,15,22,28H,13-14H2,1-3H3.
What are the key properties of 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol?
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol has a molecular weight of 392.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 66919428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).