2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol

C11H19BrN2O2 — CID 114638555

IUPAC2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
SMILESCCCn1ncc(Br)c1C(C)(O)COCC
InChIInChI=1S/C11H19BrN2O2/c1-4-6-14-10(9(12)7-13-14)11(3,15)8-16-5-2/h7,15H,4-6,8H2,1-3H3
InChIKeyZKLIWFNBOWMPJX-UHFFFAOYSA-N
MW291.19 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol

2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol (PubChem CID 114638555) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
PubChem CID114638555
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
SMILESCCCn1ncc(Br)c1C(C)(O)COCC
InChIInChI=1S/C11H19BrN2O2/c1-4-6-14-10(9(12)7-13-14)11(3,15)8-16-5-2/h7,15H,4-6,8H2,1-3H3
InChIKeyZKLIWFNBOWMPJX-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638544
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
CID 114794969
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The IUPAC name of 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol (CID 114638555) is 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The canonical SMILES for 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol is CCCn1ncc(Br)c1C(C)(O)COCC.
What is the InChIKey of 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol?
The InChIKey is ZKLIWFNBOWMPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-4-6-14-10(9(12)7-13-14)11(3,15)8-16-5-2/h7,15H,4-6,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol?
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol has a molecular weight of 291.19 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol is sourced from PubChem (CID 114638555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).