1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol

C16H21BrN2O2 — CID 103465308

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCn1nc(C)c(Br)c1CC(O)(COC)c1ccccc1
InChIInChI=1S/C16H21BrN2O2/c1-4-19-14(15(17)12(2)18-19)10-16(20,11-21-3)13-8-6-5-7-9-13/h5-9,20H,4,10-11H2,1-3H3
InChIKeyVQXGADDMJYQLQX-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol (PubChem CID 103465308) has the molecular formula C16H21BrN2O2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
PubChem CID103465308
Molecular FormulaC16H21BrN2O2
Molecular Weight353.26 g/mol
Exact Mass352.08
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
SMILESCCn1nc(C)c(Br)c1CC(O)(COC)c1ccccc1
InChIInChI=1S/C16H21BrN2O2/c1-4-19-14(15(17)12(2)18-19)10-16(20,11-21-3)13-8-6-5-7-9-13/h5-9,20H,4,10-11H2,1-3H3
InChIKeyVQXGADDMJYQLQX-UHFFFAOYSA-N
XLogP3.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465737
4-[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-hydroxypropan-2-yl]phenol
CID 83075949
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66040031
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2,4-dimethylpentan-3-ol
CID 112743442
2-benzyl-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)butan-2-amine
CID 79025813
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-ethylbutan-1-ol
CID 66058089
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833258
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465724
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604
1-(4-bromo-2-fluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465726
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-methylhex-5-en-2-ol
CID 113437939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol (CID 103465308) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol is CCn1nc(C)c(Br)c1CC(O)(COC)c1ccccc1.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
The InChIKey is VQXGADDMJYQLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2/c1-4-19-14(15(17)12(2)18-19)10-16(20,11-21-3)13-8-6-5-7-9-13/h5-9,20H,4,10-11H2,1-3H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol has a molecular weight of 353.26 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-2-phenylpropan-2-ol is sourced from PubChem (CID 103465308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).