1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol

C11H19BrN2O — CID 114635608

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyLVAKEPGYEUWSTR-UHFFFAOYSA-N
MW275.19 g/mol
LogP3.45
Rot. Bonds5

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

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol (PubChem CID 114635608) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
PubChem CID114635608
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C11H19BrN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3
InChIKeyLVAKEPGYEUWSTR-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
CID 105337039
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128368
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-ol
CID 114643705
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105041983

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol (CID 114635608) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol is CCCCC(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
The InChIKey is LVAKEPGYEUWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-4-5-6-10(15)11-9(12)7-13-14(11)8(2)3/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol has a molecular weight of 275.19 g/mol, XLogP of 3.45, 5 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)pentan-1-ol is sourced from PubChem (CID 114635608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).