4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium

C11H20N3O+ — CID 7111642

IUPAC4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium
SMILESCc1n[nH]c(C)c1CC[NH+]1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)/p+1
InChIKeyVIKAMQNWLXTIFK-UHFFFAOYSA-O
MW210.30 g/mol
LogP-0.52
Rot. Bonds3

About 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium

4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium (PubChem CID 7111642) has the molecular formula C11H20N3O+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium
PubChem CID7111642
Molecular FormulaC11H20N3O+
Molecular Weight210.30 g/mol
Exact Mass210.16
IUPAC Name4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium
SMILESCc1n[nH]c(C)c1CC[NH+]1CCOCC1
InChIInChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)/p+1
InChIKeyVIKAMQNWLXTIFK-UHFFFAOYSA-O
XLogP-0.52
TPSA42.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium?
The IUPAC name of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium (CID 7111642) is 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium?
The canonical SMILES for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium is Cc1n[nH]c(C)c1CC[NH+]1CCOCC1.
What is the InChIKey of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium?
The InChIKey is VIKAMQNWLXTIFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19N3O/c1-9-11(10(2)13-12-9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)/p+1.
What are the key properties of 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium?
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium has a molecular weight of 210.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholin-4-ium is sourced from PubChem (CID 7111642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).