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

C16H16FN3O2 — CID 56588774

IUPAC4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=CCN1C(=O)c2n[nH]c(COC)c2C1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-3-8-20-15(10-4-6-11(17)7-5-10)13-12(9-22-2)18-19-14(13)16(20)21/h3-7,15H,1,8-9H2,2H3,(H,18,19)
InChIKeyBDCPQOAQZWEGBM-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.43
Rot. Bonds5

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

4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 56588774) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID56588774
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESC=CCN1C(=O)c2n[nH]c(COC)c2C1c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-3-8-20-15(10-4-6-11(17)7-5-10)13-12(9-22-2)18-19-14(13)16(20)21/h3-7,15H,1,8-9H2,2H3,(H,18,19)
InChIKeyBDCPQOAQZWEGBM-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 56588774) is 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is C=CCN1C(=O)c2n[nH]c(COC)c2C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is BDCPQOAQZWEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-3-8-20-15(10-4-6-11(17)7-5-10)13-12(9-22-2)18-19-14(13)16(20)21/h3-7,15H,1,8-9H2,2H3,(H,18,19).
What are the key properties of 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 301.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-(methoxymethyl)-5-prop-2-enyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 56588774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).