3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C17H16F3N3O2 — CID 56588776

IUPAC3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=CCN1C(=O)c2n[nH]c(COC)c2C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c1-3-7-23-15(10-5-4-6-11(8-10)17(18,19)20)13-12(9-25-2)21-22-14(13)16(23)24/h3-6,8,15H,1,7,9H2,2H3,(H,21,22)
InChIKeyCFNLTCUCFHJNLS-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.31
Rot. Bonds5

About 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588776) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588776
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=CCN1C(=O)c2n[nH]c(COC)c2C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c1-3-7-23-15(10-5-4-6-11(8-10)17(18,19)20)13-12(9-25-2)21-22-14(13)16(23)24/h3-6,8,15H,1,7,9H2,2H3,(H,21,22)
InChIKeyCFNLTCUCFHJNLS-UHFFFAOYSA-N
XLogP3.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one 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 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 56588776) is 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is C=CCN1C(=O)c2n[nH]c(COC)c2C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CFNLTCUCFHJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-3-7-23-15(10-5-4-6-11(8-10)17(18,19)20)13-12(9-25-2)21-22-14(13)16(23)24/h3-6,8,15H,1,7,9H2,2H3,(H,21,22).
What are the key properties of 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 351.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-prop-2-enyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).