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

C13H14BrClN2O — CID 116817882

IUPAC2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
SMILESCc1cc(Br)ccc1-n1nc(C)c(CCO)c1Cl
InChIInChI=1S/C13H14BrClN2O/c1-8-7-10(14)3-4-12(8)17-13(15)11(5-6-18)9(2)16-17/h3-4,7,18H,5-6H2,1-2H3
InChIKeyOHSROJGSWISBHS-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.44
Rot. Bonds3

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

2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol (PubChem CID 116817882) has the molecular formula C13H14BrClN2O and a molecular weight of 329.63 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
PubChem CID116817882
Molecular FormulaC13H14BrClN2O
Molecular Weight329.63 g/mol
Exact Mass328.00
IUPAC Name2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol
SMILESCc1cc(Br)ccc1-n1nc(C)c(CCO)c1Cl
InChIInChI=1S/C13H14BrClN2O/c1-8-7-10(14)3-4-12(8)17-13(15)11(5-6-18)9(2)16-17/h3-4,7,18H,5-6H2,1-2H3
InChIKeyOHSROJGSWISBHS-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methylphenyl)-5-chloro-4-ethyl-3-methylpyrazole
CID 104509030
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]acetonitrile
CID 116817926
1-(4-bromo-2-methylphenyl)-5-chloro-3,4-dimethylpyrazole
CID 104509036
1-(4-bromo-2-methylphenyl)-3-tert-butyl-5-chloro-4-(chloromethyl)pyrazole
CID 104508804
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106
5-chloro-4-(chloromethyl)-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole
CID 63858394
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
2-(4-bromo-2-methylphenyl)-5-methylpyrazol-3-amine
CID 82091925
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
1-(4-bromo-2-methylphenyl)-5-chloro-3-(2-methylpropyl)-4-nitropyrazole
CID 104509038
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 104508930
1-(4-bromo-2-methylphenyl)-5-chloro-3-(difluoromethyl)pyrazole
CID 104509033

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol (CID 116817882) is 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol is Cc1cc(Br)ccc1-n1nc(C)c(CCO)c1Cl.
What is the InChIKey of 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol?
The InChIKey is OHSROJGSWISBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-8-7-10(14)3-4-12(8)17-13(15)11(5-6-18)9(2)16-17/h3-4,7,18H,5-6H2,1-2H3.
What are the key properties of 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol?
2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol has a molecular weight of 329.63 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-methylphenyl)-5-chloro-3-methylpyrazol-4-yl]ethanol is sourced from PubChem (CID 116817882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).