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

C14H19BrN2O2 — CID 115467182

IUPAC1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol
SMILESCCc1nn(CC)c(CC(C)(O)c2ccoc2)c1Br
InChIInChI=1S/C14H19BrN2O2/c1-4-11-13(15)12(17(5-2)16-11)8-14(3,18)10-6-7-19-9-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyBPYXZAZDLIFXSJ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.27
Rot. Bonds5

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

1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol (PubChem CID 115467182) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol
PubChem CID115467182
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol
SMILESCCc1nn(CC)c(CC(C)(O)c2ccoc2)c1Br
InChIInChI=1S/C14H19BrN2O2/c1-4-11-13(15)12(17(5-2)16-11)8-14(3,18)10-6-7-19-9-10/h6-7,9,18H,4-5,8H2,1-3H3
InChIKeyBPYXZAZDLIFXSJ-UHFFFAOYSA-N
XLogP3.27
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol (CID 115467182) is 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol is CCc1nn(CC)c(CC(C)(O)c2ccoc2)c1Br.
What is the InChIKey of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol?
The InChIKey is BPYXZAZDLIFXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-11-13(15)12(17(5-2)16-11)8-14(3,18)10-6-7-19-9-10/h6-7,9,18H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol?
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(furan-3-yl)propan-2-ol has a molecular weight of 327.22 g/mol, XLogP of 3.27, 5 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)-2-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 115467182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).