3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol

C15H18BrClN2O — CID 79438552

IUPAC3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
SMILESCCn1nc(C)c(Br)c1CC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H18BrClN2O/c1-3-19-14(15(16)10(2)18-19)8-12(9-20)11-4-6-13(17)7-5-11/h4-7,12,20H,3,8-9H2,1-2H3
InChIKeyXYAKVOQMFDSHTK-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.95
Rot. Bonds5

About 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol (PubChem CID 79438552) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
PubChem CID79438552
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
SMILESCCn1nc(C)c(Br)c1CC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H18BrClN2O/c1-3-19-14(15(16)10(2)18-19)8-12(9-20)11-4-6-13(17)7-5-11/h4-7,12,20H,3,8-9H2,1-2H3
InChIKeyXYAKVOQMFDSHTK-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79433938
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]propane-1,3-diol
CID 79450163
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(4-bromophenyl)propan-1-ol
CID 79438618
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 104998174
4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79455166
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-ol
CID 79424330
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanamine
CID 104998153
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115812967
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)methyl]-3-(2-bromophenyl)propan-1-ol
CID 66037857

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol (CID 79438552) is 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol is CCn1nc(C)c(Br)c1CC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol?
The InChIKey is XYAKVOQMFDSHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-3-19-14(15(16)10(2)18-19)8-12(9-20)11-4-6-13(17)7-5-11/h4-7,12,20H,3,8-9H2,1-2H3.
What are the key properties of 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol?
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol has a molecular weight of 357.68 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol is sourced from PubChem (CID 79438552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).