1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol

C13H21BrN2O — CID 115835453

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
SMILESCC(C)n1ncc(Br)c1C(O)CC1CCCC1
InChIInChI=1S/C13H21BrN2O/c1-9(2)16-13(11(14)8-15-16)12(17)7-10-5-3-4-6-10/h8-10,12,17H,3-7H2,1-2H3
InChIKeyVLCWNXMYYOLTSW-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol (PubChem CID 115835453) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
PubChem CID115835453
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
SMILESCC(C)n1ncc(Br)c1C(O)CC1CCCC1
InChIInChI=1S/C13H21BrN2O/c1-9(2)16-13(11(14)8-15-16)12(17)7-10-5-3-4-6-10/h8-10,12,17H,3-7H2,1-2H3
InChIKeyVLCWNXMYYOLTSW-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128368
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol (CID 115835453) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol is CC(C)n1ncc(Br)c1C(O)CC1CCCC1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol?
The InChIKey is VLCWNXMYYOLTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-9(2)16-13(11(14)8-15-16)12(17)7-10-5-3-4-6-10/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol has a molecular weight of 301.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol is sourced from PubChem (CID 115835453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).