2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol

C12H12BrClN2O — CID 116818796

IUPAC2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol
SMILESCc1ccc(Cl)cc1-n1cc(Br)c(CCO)n1
InChIInChI=1S/C12H12BrClN2O/c1-8-2-3-9(14)6-12(8)16-7-10(13)11(15-16)4-5-17/h2-3,6-7,17H,4-5H2,1H3
InChIKeyNOCPHFFAPIVOBC-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol

2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol (PubChem CID 116818796) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol
PubChem CID116818796
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol
SMILESCc1ccc(Cl)cc1-n1cc(Br)c(CCO)n1
InChIInChI=1S/C12H12BrClN2O/c1-8-2-3-9(14)6-12(8)16-7-10(13)11(15-16)4-5-17/h2-3,6-7,17H,4-5H2,1H3
InChIKeyNOCPHFFAPIVOBC-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-1-(4-chloro-2-methylphenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818615
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
CID 84614934
1-(5-chloro-2-methylphenyl)-4-hydroxypyrazole-3-carbaldehyde
CID 82389129
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 116818670
1-(5-chloro-2-methylphenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952441
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
2-(4-bromo-1-methylpyrazol-3-yl)ethanol
CID 84672844
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carbonitrile
CID 116818873
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol (CID 116818796) is 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol is Cc1ccc(Cl)cc1-n1cc(Br)c(CCO)n1.
What is the InChIKey of 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol?
The InChIKey is NOCPHFFAPIVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-8-2-3-9(14)6-12(8)16-7-10(13)11(15-16)4-5-17/h2-3,6-7,17H,4-5H2,1H3.
What are the key properties of 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol?
2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol has a molecular weight of 315.60 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(5-chloro-2-methylphenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 116818796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).