2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

C10H17N3O — CID 54592635

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(CC2CNCCO2)n1
InChIInChI=1S/C10H17N3O/c1-8-5-9(2)13(12-8)7-10-6-11-3-4-14-10/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyOGQYGLMJTYQJDL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.49
Rot. Bonds2

About 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine

2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (PubChem CID 54592635) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
PubChem CID54592635
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
SMILESCc1cc(C)n(CC2CNCCO2)n1
InChIInChI=1S/C10H17N3O/c1-8-5-9(2)13(12-8)7-10-6-11-3-4-14-10/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyOGQYGLMJTYQJDL-UHFFFAOYSA-N
XLogP0.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine (CID 54592635) is 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is Cc1cc(C)n(CC2CNCCO2)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
The InChIKey is OGQYGLMJTYQJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-5-9(2)13(12-8)7-10-6-11-3-4-14-10/h5,10-11H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine?
2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine has a molecular weight of 195.27 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 54592635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).