1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol

C17H21BrN2O — CID 64785466

IUPAC1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H21BrN2O/c18-14-7-5-13(6-8-14)11-17(21)12-15-9-10-20(19-15)16-3-1-2-4-16/h5-10,16-17,21H,1-4,11-12H2
InChIKeyBDDYNRJASVQNNG-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.91
Rot. Bonds5

About 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol

1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol (PubChem CID 64785466) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
PubChem CID64785466
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
SMILESOC(Cc1ccc(Br)cc1)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H21BrN2O/c18-14-7-5-13(6-8-14)11-17(21)12-15-9-10-20(19-15)16-3-1-2-4-16/h5-10,16-17,21H,1-4,11-12H2
InChIKeyBDDYNRJASVQNNG-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-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol (CID 64785466) is 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol is OC(Cc1ccc(Br)cc1)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
The InChIKey is BDDYNRJASVQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c18-14-7-5-13(6-8-14)11-17(21)12-15-9-10-20(19-15)16-3-1-2-4-16/h5-10,16-17,21H,1-4,11-12H2.
What are the key properties of 1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol?
1-(4-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-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 64785466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).