1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol

C15H27BrN2O2 — CID 116713159

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(OC)C(C)(C)C)c1Br
InChIInChI=1S/C15H27BrN2O2/c1-7-10-13(16)11(18(8-2)17-10)9-12(19)14(20-6)15(3,4)5/h12,14,19H,7-9H2,1-6H3
InChIKeyCMYHRBUQONGBNL-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol (PubChem CID 116713159) has the molecular formula C15H27BrN2O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
PubChem CID116713159
Molecular FormulaC15H27BrN2O2
Molecular Weight347.30 g/mol
Exact Mass346.13
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(OC)C(C)(C)C)c1Br
InChIInChI=1S/C15H27BrN2O2/c1-7-10-13(16)11(18(8-2)17-10)9-12(19)14(20-6)15(3,4)5/h12,14,19H,7-9H2,1-6H3
InChIKeyCMYHRBUQONGBNL-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713022
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712576
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-ethoxy-3-methylbutan-2-amine
CID 116726183
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272187
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757908
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol (CID 116713159) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol is CCc1nn(CC)c(CC(O)C(OC)C(C)(C)C)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
The InChIKey is CMYHRBUQONGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN2O2/c1-7-10-13(16)11(18(8-2)17-10)9-12(19)14(20-6)15(3,4)5/h12,14,19H,7-9H2,1-6H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol has a molecular weight of 347.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116713159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).