3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol

C14H23BrN2O2 — CID 116712576

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(OC)C2CC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-4-10-13(15)11(17(5-2)16-10)8-12(18)14(19-3)9-6-7-9/h9,12,14,18H,4-8H2,1-3H3
InChIKeyRQPPVVJDRDWYCN-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.56
Rot. Bonds7

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol (PubChem CID 116712576) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
PubChem CID116712576
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol
SMILESCCc1nn(CC)c(CC(O)C(OC)C2CC2)c1Br
InChIInChI=1S/C14H23BrN2O2/c1-4-10-13(15)11(17(5-2)16-10)8-12(18)14(19-3)9-6-7-9/h9,12,14,18H,4-8H2,1-3H3
InChIKeyRQPPVVJDRDWYCN-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721888
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-methoxy-3-methylbutan-2-ol
CID 116502490
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713159
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-ol
CID 79496348
1-(4-bromo-1,3-diethylpyrazol-5-yl)-4-ethylhexane-2,3-diol
CID 103459826
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115816212
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)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-ol
CID 103986394
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753161
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79488993
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105002348

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol (CID 116712576) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol is CCc1nn(CC)c(CC(O)C(OC)C2CC2)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol?
The InChIKey is RQPPVVJDRDWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-4-10-13(15)11(17(5-2)16-10)8-12(18)14(19-3)9-6-7-9/h9,12,14,18H,4-8H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol has a molecular weight of 331.25 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-1-cyclopropyl-1-methoxypropan-2-ol is sourced from PubChem (CID 116712576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).