2-(pyrazol-1-ylmethyl)morpholine

C8H13N3O — CID 54592633

IUPAC2-(pyrazol-1-ylmethyl)morpholine
SMILESc1cnn(CC2CNCCO2)c1
InChIInChI=1S/C8H13N3O/c1-2-10-11(4-1)7-8-6-9-3-5-12-8/h1-2,4,8-9H,3,5-7H2
InChIKeyLWBBFLJNOWLMTE-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.13
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)morpholine

2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 54592633) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)morpholine
PubChem CID54592633
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(pyrazol-1-ylmethyl)morpholine
SMILESc1cnn(CC2CNCCO2)c1
InChIInChI=1S/C8H13N3O/c1-2-10-11(4-1)7-8-6-9-3-5-12-8/h1-2,4,8-9H,3,5-7H2
InChIKeyLWBBFLJNOWLMTE-UHFFFAOYSA-N
XLogP-0.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(pyrazol-1-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 2-(pyrazol-1-ylmethyl)morpholine (CID 54592633) is 2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)morpholine is c1cnn(CC2CNCCO2)c1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is LWBBFLJNOWLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-10-11(4-1)7-8-6-9-3-5-12-8/h1-2,4,8-9H,3,5-7H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)morpholine?
2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 167.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 54592633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).