[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone

C20H23N3O — CID 46964894

IUPAC[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C20H23N3O/c1-4-11-20(12-5-2)13-14-23(20)19(24)18-15(3)17(21-22-18)16-9-7-6-8-10-16/h4-10H,1-2,11-14H2,3H3,(H,21,22)
InChIKeyJYXZKCJQCOMBQS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.12
Rot. Bonds6

About [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone

[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 46964894) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID46964894
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC=CCC1(CC=C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C
InChIInChI=1S/C20H23N3O/c1-4-11-20(12-5-2)13-14-23(20)19(24)18-15(3)17(21-22-18)16-9-7-6-8-10-16/h4-10H,1-2,11-14H2,3H3,(H,21,22)
InChIKeyJYXZKCJQCOMBQS-UHFFFAOYSA-N
XLogP4.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone 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 [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone (CID 46964894) is [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone is C=CCC1(CC=C)CCN1C(=O)c1[nH]nc(-c2ccccc2)c1C.
What is the InChIKey of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is JYXZKCJQCOMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-11-20(12-5-2)13-14-23(20)19(24)18-15(3)17(21-22-18)16-9-7-6-8-10-16/h4-10H,1-2,11-14H2,3H3,(H,21,22).
What are the key properties of [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone?
[2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 321.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(prop-2-enyl)azetidin-1-yl]-(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 46964894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).