4-(1-benzylpyrazol-3-yl)morpholine

C14H17N3O — CID 126655269

IUPAC4-(1-benzylpyrazol-3-yl)morpholine
SMILESc1ccc(Cn2ccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)12-17-7-6-14(15-17)16-8-10-18-11-9-16/h1-7H,8-12H2
InChIKeyLVOCBYHDSNHZML-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.77
Rot. Bonds3

About 4-(1-benzylpyrazol-3-yl)morpholine

4-(1-benzylpyrazol-3-yl)morpholine (PubChem CID 126655269) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-3-yl)morpholine
PubChem CID126655269
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(1-benzylpyrazol-3-yl)morpholine
SMILESc1ccc(Cn2ccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)12-17-7-6-14(15-17)16-8-10-18-11-9-16/h1-7H,8-12H2
InChIKeyLVOCBYHDSNHZML-UHFFFAOYSA-N
XLogP1.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzylpyrazol-3-yl)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 4-(1-benzylpyrazol-3-yl)morpholine?
The IUPAC name of 4-(1-benzylpyrazol-3-yl)morpholine (CID 126655269) is 4-(1-benzylpyrazol-3-yl)morpholine.
What is the SMILES notation for 4-(1-benzylpyrazol-3-yl)morpholine?
The canonical SMILES for 4-(1-benzylpyrazol-3-yl)morpholine is c1ccc(Cn2ccc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(1-benzylpyrazol-3-yl)morpholine?
The InChIKey is LVOCBYHDSNHZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-13(5-3-1)12-17-7-6-14(15-17)16-8-10-18-11-9-16/h1-7H,8-12H2.
What are the key properties of 4-(1-benzylpyrazol-3-yl)morpholine?
4-(1-benzylpyrazol-3-yl)morpholine has a molecular weight of 243.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-3-yl)morpholine is sourced from PubChem (CID 126655269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).