1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol

C13H21BrN2O — CID 114637053

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
SMILESCCn1ncc(Br)c1C(O)CC1CCCCC1
InChIInChI=1S/C13H21BrN2O/c1-2-16-13(11(14)9-15-16)12(17)8-10-6-4-3-5-7-10/h9-10,12,17H,2-8H2,1H3
InChIKeyZJXYTJUGIOQZLB-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol

1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol (PubChem CID 114637053) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
PubChem CID114637053
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
SMILESCCn1ncc(Br)c1C(O)CC1CCCCC1
InChIInChI=1S/C13H21BrN2O/c1-2-16-13(11(14)9-15-16)12(17)8-10-6-4-3-5-7-10/h9-10,12,17H,2-8H2,1H3
InChIKeyZJXYTJUGIOQZLB-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylsulfanylethanol
CID 114643899
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 114644108
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-cyclohexylpropan-1-ol
CID 115835756
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol (CID 114637053) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol is CCn1ncc(Br)c1C(O)CC1CCCCC1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol?
The InChIKey is ZJXYTJUGIOQZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-2-16-13(11(14)9-15-16)12(17)8-10-6-4-3-5-7-10/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol has a molecular weight of 301.23 g/mol, XLogP of 3.67, 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-ethylpyrazol-5-yl)-2-cyclohexylethanol is sourced from PubChem (CID 114637053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).