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

C23H23FN2O — CID 15605657

IUPAC(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C23H23FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15,22,27H,13-14H2,1-2H3/t22-,23?/m0/s1
InChIKeyOGDGQKVRLHUKBJ-NQCNTLBGSA-N
MW362.45 g/mol
LogP4.58
Rot. Bonds4

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

(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol (PubChem CID 15605657) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol.

Molecular Properties

Compound Name(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
PubChem CID15605657
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C23H23FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15,22,27H,13-14H2,1-2H3/t22-,23?/m0/s1
InChIKeyOGDGQKVRLHUKBJ-NQCNTLBGSA-N
XLogP4.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
1-(4-fluorophenyl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919502
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(2-methoxyphenyl)ethanol
CID 66919428
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]-3-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 173382158
2-[(3S)-3-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-hydroxypropyl]benzoic acid
CID 173382163
(1S)-1-[6-ethyl-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]prop-2-yn-1-ol
CID 173382149
2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-(3-methylthiophen-2-yl)ethanol
CID 66919344
(4aS)-6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 58333317
6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 67096931
(1R)-1-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-2-phenylethanol
CID 142819548

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol?
The IUPAC name of (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol (CID 15605657) is (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol.
What is the SMILES notation for (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol?
The canonical SMILES for (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol is CC1=Cc2c(cnn2-c2ccc(F)cc2)CC1(C)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol?
The InChIKey is OGDGQKVRLHUKBJ-NQCNTLBGSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-16-12-21-18(15-25-26(21)20-10-8-19(24)9-11-20)14-23(16,2)22(27)13-17-6-4-3-5-7-17/h3-12,15,22,27H,13-14H2,1-2H3/t22-,23?/m0/s1.
What are the key properties of (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol?
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol has a molecular weight of 362.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol is sourced from PubChem (CID 15605657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).