2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol

C17H21BrN2O — CID 79972588

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C17H21BrN2O/c1-3-20-15(17(18)11(2)19-20)10-16(21)14-6-4-5-13(9-14)12-7-8-12/h4-6,9,12,16,21H,3,7-8,10H2,1-2H3
InChIKeyCIIOGRPQDSXLFV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol (PubChem CID 79972588) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
PubChem CID79972588
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(C2CC2)c1
InChIInChI=1S/C17H21BrN2O/c1-3-20-15(17(18)11(2)19-20)10-16(21)14-6-4-5-13(9-14)12-7-8-12/h4-6,9,12,16,21H,3,7-8,10H2,1-2H3
InChIKeyCIIOGRPQDSXLFV-UHFFFAOYSA-N
XLogP4.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 106695693
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-pyrimidin-5-ylethanol
CID 102924052
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 79979836
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-bromophenyl)propanoic acid
CID 79431391
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107469351
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
2-(4-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980644
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol (CID 79972588) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol is CCn1nc(C)c(Br)c1CC(O)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol?
The InChIKey is CIIOGRPQDSXLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-3-20-15(17(18)11(2)19-20)10-16(21)14-6-4-5-13(9-14)12-7-8-12/h4-6,9,12,16,21H,3,7-8,10H2,1-2H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol has a molecular weight of 349.27 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79972588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).