1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol

C17H21BrN2O — CID 64785473

IUPAC1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
SMILESOC(Cc1ccn(C2CCCC2)n1)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-17-8-4-1-5-13(17)11-16(21)12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15-16,21H,2-3,6-7,11-12H2
InChIKeyOYQGPRWFKNVZOB-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol

1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol (PubChem CID 64785473) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
PubChem CID64785473
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
SMILESOC(Cc1ccn(C2CCCC2)n1)Cc1ccccc1Br
InChIInChI=1S/C17H21BrN2O/c18-17-8-4-1-5-13(17)11-16(21)12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15-16,21H,2-3,6-7,11-12H2
InChIKeyOYQGPRWFKNVZOB-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-phenylpropan-2-ol
CID 64784664
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol (CID 64785473) is 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol is OC(Cc1ccn(C2CCCC2)n1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The InChIKey is OYQGPRWFKNVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-17-8-4-1-5-13(17)11-16(21)12-14-9-10-20(19-14)15-6-2-3-7-15/h1,4-5,8-10,15-16,21H,2-3,6-7,11-12H2.
What are the key properties of 1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol has a molecular weight of 349.27 g/mol, XLogP of 3.91, 5 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-cyclopentylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 64785473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).