4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C14H17BrN4O — CID 133365120

IUPAC4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(Br)c3)CCO2)cn1
InChIInChI=1S/C14H17BrN4O/c1-14(11-6-17-18(2)9-11)10-19(3-4-20-14)13-5-12(15)7-16-8-13/h5-9H,3-4,10H2,1-2H3
InChIKeyJANVWRKWWNIDCV-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.33
Rot. Bonds2

About 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 133365120) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID133365120
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3cncc(Br)c3)CCO2)cn1
InChIInChI=1S/C14H17BrN4O/c1-14(11-6-17-18(2)9-11)10-19(3-4-20-14)13-5-12(15)7-16-8-13/h5-9H,3-4,10H2,1-2H3
InChIKeyJANVWRKWWNIDCV-UHFFFAOYSA-N
XLogP2.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 133365120) is 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3cncc(Br)c3)CCO2)cn1.
What is the InChIKey of 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is JANVWRKWWNIDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-14(11-6-17-18(2)9-11)10-19(3-4-20-14)13-5-12(15)7-16-8-13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 337.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-pyridinyl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 133365120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).