1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol

C14H23BrN2O2 — CID 103986394

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
SMILESCCc1nn(CC)c(CC(O)CC2CCOC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-3-12-14(15)13(17(4-2)16-12)8-11(18)7-10-5-6-19-9-10/h10-11,18H,3-9H2,1-2H3
InChIKeyOIGZOMOXFHOXQE-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.56
Rot. Bonds6

About 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol (PubChem CID 103986394) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
PubChem CID103986394
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
SMILESCCc1nn(CC)c(CC(O)CC2CCOC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-3-12-14(15)13(17(4-2)16-12)8-11(18)7-10-5-6-19-9-10/h10-11,18H,3-9H2,1-2H3
InChIKeyOIGZOMOXFHOXQE-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 113362040
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115816212
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-cycloheptylpropan-2-ol
CID 115810644
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105109407
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712576
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(cyclohexen-1-yl)propan-2-ol
CID 116660165
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721888
methyl 4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]morpholine-3-carboxylate
CID 104775065
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105109515

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol (CID 103986394) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol is CCc1nn(CC)c(CC(O)CC2CCOC2)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol?
The InChIKey is OIGZOMOXFHOXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-3-12-14(15)13(17(4-2)16-12)8-11(18)7-10-5-6-19-9-10/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol has a molecular weight of 331.25 g/mol, XLogP of 2.56, 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-(oxolan-3-yl)propan-2-ol is sourced from PubChem (CID 103986394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).