2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol

C17H17FN2O — CID 79431452

IUPAC2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
SMILESCn1nc(CC(CO)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3
InChIKeyYXGGYXUURHQFCS-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.03
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol

2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol (PubChem CID 79431452) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
PubChem CID79431452
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
SMILESCn1nc(CC(CO)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C17H17FN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3
InChIKeyYXGGYXUURHQFCS-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
CID 79433711
(1R)-1-(3-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81352245
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
1-(2-chloro-3-fluorophenyl)-2-(1-methylindazol-3-yl)ethanol
CID 115815135
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 105375972
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
3-(2,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 79430276
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79431173
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol (CID 79431452) is 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol is Cn1nc(CC(CO)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
The InChIKey is YXGGYXUURHQFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20-17-8-3-2-7-15(17)16(19-20)10-13(11-21)12-5-4-6-14(18)9-12/h2-9,13,21H,10-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol?
2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol has a molecular weight of 284.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol is sourced from PubChem (CID 79431452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).