1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol

C14H23BrN2O — CID 114794969

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
SMILESCCCn1ncc(Br)c1C(C)(O)C1CCCCC1
InChIInChI=1S/C14H23BrN2O/c1-3-9-17-13(12(15)10-16-17)14(2,18)11-7-5-4-6-8-11/h10-11,18H,3-9H2,1-2H3
InChIKeySVXUMFNXSUTNPK-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol

1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol (PubChem CID 114794969) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
PubChem CID114794969
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
SMILESCCCn1ncc(Br)c1C(C)(O)C1CCCCC1
InChIInChI=1S/C14H23BrN2O/c1-3-9-17-13(12(15)10-16-17)14(2,18)11-7-5-4-6-8-11/h10-11,18H,3-9H2,1-2H3
InChIKeySVXUMFNXSUTNPK-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 114667257
[1-(4-bromo-1-propylpyrazol-5-yl)-3-cyclohexylpropyl]hydrazine
CID 105336636
4-bromo-5-(3-chlorocycloheptyl)-1-propylpyrazole
CID 114665248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol (CID 114794969) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol is CCCn1ncc(Br)c1C(C)(O)C1CCCCC1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol?
The InChIKey is SVXUMFNXSUTNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-3-9-17-13(12(15)10-16-17)14(2,18)11-7-5-4-6-8-11/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol has a molecular weight of 315.26 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-propylpyrazol-5-yl)-1-cyclohexylethanol is sourced from PubChem (CID 114794969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).