2-(1-benzylpyrazol-3-yl)-4-bromophenol

C16H13BrN2O — CID 155568023

IUPAC2-(1-benzylpyrazol-3-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1ccn(Cc2ccccc2)n1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-16(20)14(10-13)15-8-9-19(18-15)11-12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyILTCUDLNSKXAHS-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.07
Rot. Bonds3

About 2-(1-benzylpyrazol-3-yl)-4-bromophenol

2-(1-benzylpyrazol-3-yl)-4-bromophenol (PubChem CID 155568023) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-3-yl)-4-bromophenol.

Molecular Properties

Compound Name2-(1-benzylpyrazol-3-yl)-4-bromophenol
PubChem CID155568023
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-(1-benzylpyrazol-3-yl)-4-bromophenol
SMILESOc1ccc(Br)cc1-c1ccn(Cc2ccccc2)n1
InChIInChI=1S/C16H13BrN2O/c17-13-6-7-16(20)14(10-13)15-8-9-19(18-15)11-12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyILTCUDLNSKXAHS-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
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-(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-Bromophenyl)-[3-(3,5-dibromo-2-hydroxyphenyl)pyrazol-1-yl]methanone
CID 155513461
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 2-(1-benzylpyrazol-3-yl)-4-bromophenol?
The IUPAC name of 2-(1-benzylpyrazol-3-yl)-4-bromophenol (CID 155568023) is 2-(1-benzylpyrazol-3-yl)-4-bromophenol.
What is the SMILES notation for 2-(1-benzylpyrazol-3-yl)-4-bromophenol?
The canonical SMILES for 2-(1-benzylpyrazol-3-yl)-4-bromophenol is Oc1ccc(Br)cc1-c1ccn(Cc2ccccc2)n1.
What is the InChIKey of 2-(1-benzylpyrazol-3-yl)-4-bromophenol?
The InChIKey is ILTCUDLNSKXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-13-6-7-16(20)14(10-13)15-8-9-19(18-15)11-12-4-2-1-3-5-12/h1-10,20H,11H2.
What are the key properties of 2-(1-benzylpyrazol-3-yl)-4-bromophenol?
2-(1-benzylpyrazol-3-yl)-4-bromophenol has a molecular weight of 329.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-3-yl)-4-bromophenol is sourced from PubChem (CID 155568023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).