1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol

C14H24BrN3O2 — CID 142591856

IUPAC1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol
SMILESCCc1c(Br)c(C(O)CCCN2CCOCC2)nn1C
InChIInChI=1S/C14H24BrN3O2/c1-3-11-13(15)14(16-17(11)2)12(19)5-4-6-18-7-9-20-10-8-18/h12,19H,3-10H2,1-2H3
InChIKeyNXWJSUHVAKDFJV-UHFFFAOYSA-N
MW346.27 g/mol
LogP1.89
Rot. Bonds6

About 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol

1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol (PubChem CID 142591856) has the molecular formula C14H24BrN3O2 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol
PubChem CID142591856
Molecular FormulaC14H24BrN3O2
Molecular Weight346.27 g/mol
Exact Mass345.11
IUPAC Name1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol
SMILESCCc1c(Br)c(C(O)CCCN2CCOCC2)nn1C
InChIInChI=1S/C14H24BrN3O2/c1-3-11-13(15)14(16-17(11)2)12(19)5-4-6-18-7-9-20-10-8-18/h12,19H,3-10H2,1-2H3
InChIKeyNXWJSUHVAKDFJV-UHFFFAOYSA-N
XLogP1.89
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol?
The IUPAC name of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol (CID 142591856) is 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol is CCc1c(Br)c(C(O)CCCN2CCOCC2)nn1C.
What is the InChIKey of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol?
The InChIKey is NXWJSUHVAKDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O2/c1-3-11-13(15)14(16-17(11)2)12(19)5-4-6-18-7-9-20-10-8-18/h12,19H,3-10H2,1-2H3.
What are the key properties of 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol?
1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol has a molecular weight of 346.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 142591856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).