1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C11H13BrN2O2 — CID 103005951

IUPAC1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2ccc(Br)o2)cn1
InChIInChI=1S/C11H13BrN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7,9,15H,2-3H2,1H3
InChIKeyCYWQHAVYLUMFHS-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.44
Rot. Bonds4

About 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103005951) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103005951
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2ccc(Br)o2)cn1
InChIInChI=1S/C11H13BrN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7,9,15H,2-3H2,1H3
InChIKeyCYWQHAVYLUMFHS-UHFFFAOYSA-N
XLogP2.44
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006091
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
1-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006036
1-(5-bromofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965218
3-(1-methylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 103008136
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006159
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
1-(2,3-dihydro-1H-indol-7-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006799
1-(4-bromophenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008240
1-(2-cyclopropylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103006443
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 103008373

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103005951) is 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)c2ccc(Br)o2)cn1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is CYWQHAVYLUMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-14-7-8(6-13-14)2-3-9(15)10-4-5-11(12)16-10/h4-7,9,15H,2-3H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 285.14 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103005951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).