2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol

C10H15BrN2O — CID 114638271

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O/c1-4-5-6-10(2,14)9-8(11)7-12-13(9)3/h4,7,14H,1,5-6H2,2-3H3
InChIKeyUKWOSYXJSUPFNH-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol

2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol (PubChem CID 114638271) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
PubChem CID114638271
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1c(Br)cnn1C
InChIInChI=1S/C10H15BrN2O/c1-4-5-6-10(2,14)9-8(11)7-12-13(9)3/h4,7,14H,1,5-6H2,2-3H3
InChIKeyUKWOSYXJSUPFNH-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
2-(4-bromo-1-methylpyrazol-5-yl)-1-(propan-2-ylamino)propan-2-ol
CID 114666077
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]hex-5-en-2-ol
CID 114638272
2-(4-bromo-1-methylpyrazol-5-yl)-1-(3,4-dimethoxyphenyl)propan-2-ol
CID 114635965
2-(4-bromo-1-methylpyrazol-5-yl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 114667850
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)heptan-2-ol
CID 114637132
2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
CID 102707477
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol (CID 114638271) is 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol is C=CCCC(C)(O)c1c(Br)cnn1C.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol?
The InChIKey is UKWOSYXJSUPFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-4-5-6-10(2,14)9-8(11)7-12-13(9)3/h4,7,14H,1,5-6H2,2-3H3.
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol?
2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)hex-5-en-2-ol is sourced from PubChem (CID 114638271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).