3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol

C11H19BrN2O — CID 66958927

IUPAC3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol
SMILESCCCn1nc(CCCO)c(Br)c1CC
InChIInChI=1S/C11H19BrN2O/c1-3-7-14-10(4-2)11(12)9(13-14)6-5-8-15/h15H,3-8H2,1-2H3
InChIKeyCKEOMSVQIQWKCM-UHFFFAOYSA-N
MW275.19 g/mol
LogP2.54
Rot. Bonds6

About 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol

3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol (PubChem CID 66958927) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol
PubChem CID66958927
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol
SMILESCCCn1nc(CCCO)c(Br)c1CC
InChIInChI=1S/C11H19BrN2O/c1-3-7-14-10(4-2)11(12)9(13-14)6-5-8-15/h15H,3-8H2,1-2H3
InChIKeyCKEOMSVQIQWKCM-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol (CID 66958927) is 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol is CCCn1nc(CCCO)c(Br)c1CC.
What is the InChIKey of 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol?
The InChIKey is CKEOMSVQIQWKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-3-7-14-10(4-2)11(12)9(13-14)6-5-8-15/h15H,3-8H2,1-2H3.
What are the key properties of 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol?
3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol has a molecular weight of 275.19 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-ethyl-1-propylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 66958927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).