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

C13H15FN2O — CID 82872185

IUPAC2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCn1ccc(CC(CO)c2ccccc2F)n1
InChIInChI=1S/C13H15FN2O/c1-16-7-6-11(15-16)8-10(9-17)12-4-2-3-5-13(12)14/h2-7,10,17H,8-9H2,1H3
InChIKeyDSQYVOXLACTOQJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.88
Rot. Bonds4

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

2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol (PubChem CID 82872185) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
PubChem CID82872185
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
SMILESCn1ccc(CC(CO)c2ccccc2F)n1
InChIInChI=1S/C13H15FN2O/c1-16-7-6-11(15-16)8-10(9-17)12-4-2-3-5-13(12)14/h2-7,10,17H,8-9H2,1H3
InChIKeyDSQYVOXLACTOQJ-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
3-[3-chloro-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871988
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025271
2-(2-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol
CID 79449251
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025395
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol (CID 82872185) is 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol is Cn1ccc(CC(CO)c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is DSQYVOXLACTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-16-7-6-11(15-16)8-10(9-17)12-4-2-3-5-13(12)14/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol?
2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 234.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 82872185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).