4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol

C12H11BrN2O — CID 155526472

IUPAC4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCn1ccc(-c2cc(Br)ccc2O)n1
InChIInChI=1S/C12H11BrN2O/c1-2-6-15-7-5-11(14-15)10-8-9(13)3-4-12(10)16/h2-5,7-8,16H,1,6H2
InChIKeyCXZRFFDSLOEZNT-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.20
Rot. Bonds3

About 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol

4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol (PubChem CID 155526472) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol
PubChem CID155526472
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol
SMILESC=CCn1ccc(-c2cc(Br)ccc2O)n1
InChIInChI=1S/C12H11BrN2O/c1-2-6-15-7-5-11(14-15)10-8-9(13)3-4-12(10)16/h2-5,7-8,16H,1,6H2
InChIKeyCXZRFFDSLOEZNT-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.20
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

4-Bromo-2-(1H-pyrazol-3-yl)phenol
CID 838844
4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol
CID 838849
4-Prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
CID 155533142
2-(1-Methyl-1H-Pyrazol-5-Yl)Phenol
CID 2804778
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
2,4-difluoro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804884
2-(1-Tert-butylpyrazol-3-yl)-4,6-difluorophenol
CID 2806216
4-bromo-2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199937
4-Bromo-6-({[2-(pyridin-2-yl)ethyl]amino}methylidene)cyclohexa-2,4-dien-1-one
CID 136234177
2-(1-Benzylpyrazol-3-yl)-4-propylphenol
CID 155515369
3-(5-Bromo-2-methoxyphenyl)-1-phenylpyrazole
CID 155516819
1-Benzyl-3-(5-bromo-2-methoxyphenyl)pyrazole
CID 155517362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The IUPAC name of 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol (CID 155526472) is 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The canonical SMILES for 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol is C=CCn1ccc(-c2cc(Br)ccc2O)n1.
What is the InChIKey of 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol?
The InChIKey is CXZRFFDSLOEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-2-6-15-7-5-11(14-15)10-8-9(13)3-4-12(10)16/h2-5,7-8,16H,1,6H2.
What are the key properties of 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol?
4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol has a molecular weight of 279.14 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-prop-2-enylpyrazol-3-yl)phenol is sourced from PubChem (CID 155526472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).