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

C17H23BrN2O — CID 79431157

IUPAC2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
SMILESCCC(CC)n1ccc(CC(CO)c2cccc(Br)c2)n1
InChIInChI=1S/C17H23BrN2O/c1-3-17(4-2)20-9-8-16(19-20)11-14(12-21)13-6-5-7-15(18)10-13/h5-10,14,17,21H,3-4,11-12H2,1-2H3
InChIKeyNCFOONBAYSWTPD-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.33
Rot. Bonds7

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

2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol (PubChem CID 79431157) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
PubChem CID79431157
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
SMILESCCC(CC)n1ccc(CC(CO)c2cccc(Br)c2)n1
InChIInChI=1S/C17H23BrN2O/c1-3-17(4-2)20-9-8-16(19-20)11-14(12-21)13-6-5-7-15(18)10-13/h5-10,14,17,21H,3-4,11-12H2,1-2H3
InChIKeyNCFOONBAYSWTPD-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065
2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 79430125
3-[2-(4-bromophenyl)-3-chloropropyl]-1-pentan-3-ylpyrazole
CID 79433889
3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol (CID 79431157) is 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol is CCC(CC)n1ccc(CC(CO)c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol?
The InChIKey is NCFOONBAYSWTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-3-17(4-2)20-9-8-16(19-20)11-14(12-21)13-6-5-7-15(18)10-13/h5-10,14,17,21H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol?
2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol has a molecular weight of 351.29 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 79431157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).