1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

C16H19BrN2O — CID 64784263

IUPAC1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O/c17-13-7-5-12(6-8-13)16(20)11-14-9-10-19(18-14)15-3-1-2-4-15/h5-10,15-16,20H,1-4,11H2
InChIKeyKFAIPWUJECGLTH-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (PubChem CID 64784263) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
PubChem CID64784263
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2O/c17-13-7-5-12(6-8-13)16(20)11-14-9-10-19(18-14)15-3-1-2-4-15/h5-10,15-16,20H,1-4,11H2
InChIKeyKFAIPWUJECGLTH-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64784262
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(4-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785466
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
1-(3-bromofuran-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 106886364
2-(1-cyclohexylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105102376
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(2-bromophenyl)-3-(1-cyclopentylpyrazol-3-yl)propan-2-ol
CID 64785473
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (CID 64784263) is 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The InChIKey is KFAIPWUJECGLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c17-13-7-5-12(6-8-13)16(20)11-14-9-10-19(18-14)15-3-1-2-4-15/h5-10,15-16,20H,1-4,11H2.
What are the key properties of 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol has a molecular weight of 335.25 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64784263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).