2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol

C9H15BrN2O2 — CID 114633818

IUPAC2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
SMILESCCn1ncc(Br)c1C(C)(O)COC
InChIInChI=1S/C9H15BrN2O2/c1-4-12-8(7(10)5-11-12)9(2,13)6-14-3/h5,13H,4,6H2,1-3H3
InChIKeyBTQPSHVFOVLADS-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol

2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol (PubChem CID 114633818) has the molecular formula C9H15BrN2O2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
PubChem CID114633818
Molecular FormulaC9H15BrN2O2
Molecular Weight263.13 g/mol
Exact Mass262.03
IUPAC Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
SMILESCCn1ncc(Br)c1C(C)(O)COC
InChIInChI=1S/C9H15BrN2O2/c1-4-12-8(7(10)5-11-12)9(2,13)6-14-3/h5,13H,4,6H2,1-3H3
InChIKeyBTQPSHVFOVLADS-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.52
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-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
CID 114633767
2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
3-(4-bromo-1-ethylpyrazol-5-yl)oxy-2,2-dimethylpropan-1-ol
CID 114637265
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol (CID 114633818) is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol is CCn1ncc(Br)c1C(C)(O)COC.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol?
The InChIKey is BTQPSHVFOVLADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O2/c1-4-12-8(7(10)5-11-12)9(2,13)6-14-3/h5,13H,4,6H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol?
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol has a molecular weight of 263.13 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol is sourced from PubChem (CID 114633818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).