1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol

C11H19BrN2O — CID 114635613

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1CCC
InChIInChI=1S/C11H19BrN2O/c1-3-5-6-10(15)11-9(12)8-13-14(11)7-4-2/h8,10,15H,3-7H2,1-2H3
InChIKeySTQPEGAZEVUEBV-UHFFFAOYSA-N
MW275.19 g/mol
LogP3.28
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol

1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol (PubChem CID 114635613) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
PubChem CID114635613
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
SMILESCCCCC(O)c1c(Br)cnn1CCC
InChIInChI=1S/C11H19BrN2O/c1-3-5-6-10(15)11-9(12)8-13-14(11)7-4-2/h8,10,15H,3-7H2,1-2H3
InChIKeySTQPEGAZEVUEBV-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
CID 115835053
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114643865
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol (CID 114635613) is 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol is CCCCC(O)c1c(Br)cnn1CCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol?
The InChIKey is STQPEGAZEVUEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-3-5-6-10(15)11-9(12)8-13-14(11)7-4-2/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol?
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol has a molecular weight of 275.19 g/mol, XLogP of 3.28, 6 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)pentan-1-ol is sourced from PubChem (CID 114635613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).