1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

C17H23BrN2O — CID 64785116

IUPAC1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)Cc2ccccc2Br)n1
InChIInChI=1S/C17H23BrN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15-16,21H,3-4,11-12H2,1-2H3
InChIKeyJDXHYEMYDDPXQF-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.15
Rot. Bonds7

About 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol

1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (PubChem CID 64785116) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
PubChem CID64785116
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
SMILESCCC(CC)n1ccc(CC(O)Cc2ccccc2Br)n1
InChIInChI=1S/C17H23BrN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15-16,21H,3-4,11-12H2,1-2H3
InChIKeyJDXHYEMYDDPXQF-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773195
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-pentan-3-ylpyrazole
CID 64784959
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol (CID 64785116) is 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is CCC(CC)n1ccc(CC(O)Cc2ccccc2Br)n1.
What is the InChIKey of 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is JDXHYEMYDDPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-3-15(4-2)20-10-9-14(19-20)12-16(21)11-13-7-5-6-8-17(13)18/h5-10,15-16,21H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol?
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 351.29 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 64785116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).