morpholine;5-phenyl-1H-pyrazole

C13H17N3O — CID 71270816

IUPACmorpholine;5-phenyl-1H-pyrazole
SMILESC1COCCN1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H8N2.C4H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-3-6-4-2-5-1/h1-7H,(H,10,11);5H,1-4H2
InChIKeyDVXHPLLYEFZEEZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds1

About morpholine;5-phenyl-1H-pyrazole

morpholine;5-phenyl-1H-pyrazole (PubChem CID 71270816) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is morpholine;5-phenyl-1H-pyrazole.

Molecular Properties

Compound Namemorpholine;5-phenyl-1H-pyrazole
PubChem CID71270816
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namemorpholine;5-phenyl-1H-pyrazole
SMILESC1COCCN1.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C9H8N2.C4H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-3-6-4-2-5-1/h1-7H,(H,10,11);5H,1-4H2
InChIKeyDVXHPLLYEFZEEZ-UHFFFAOYSA-N
XLogP1.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze morpholine;5-phenyl-1H-pyrazole 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 morpholine;5-phenyl-1H-pyrazole?
The IUPAC name of morpholine;5-phenyl-1H-pyrazole (CID 71270816) is morpholine;5-phenyl-1H-pyrazole.
What is the SMILES notation for morpholine;5-phenyl-1H-pyrazole?
The canonical SMILES for morpholine;5-phenyl-1H-pyrazole is C1COCCN1.c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of morpholine;5-phenyl-1H-pyrazole?
The InChIKey is DVXHPLLYEFZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C4H9NO/c1-2-4-8(5-3-1)9-6-7-10-11-9;1-3-6-4-2-5-1/h1-7H,(H,10,11);5H,1-4H2.
What are the key properties of morpholine;5-phenyl-1H-pyrazole?
morpholine;5-phenyl-1H-pyrazole has a molecular weight of 231.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;5-phenyl-1H-pyrazole is sourced from PubChem (CID 71270816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).