3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole

C19H17FN4O2 — CID 155591403

IUPAC3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17FN4O2/c1-22-11-16-18(12-22)21-23(19(16)15-7-2-3-8-17(15)20)10-13-5-4-6-14(9-13)24(25)26/h2-9H,10-12H2,1H3
InChIKeyXEPKCIGMNNYZMK-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.59
Rot. Bonds4

About 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole

3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 155591403) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID155591403
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccccc3F)c2C1
InChIInChI=1S/C19H17FN4O2/c1-22-11-16-18(12-22)21-23(19(16)15-7-2-3-8-17(15)20)10-13-5-4-6-14(9-13)24(25)26/h2-9H,10-12H2,1H3
InChIKeyXEPKCIGMNNYZMK-UHFFFAOYSA-N
XLogP3.59
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

US12391696, Example 1
CID 155591380
3-[[3-(2-Fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]aniline
CID 155591398
2-Benzyl-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168273272
3-[3-[[3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenyl]-N,N-dimethylaniline
CID 168271754
3-(2-Fluorophenyl)-2-[(3-fluorophenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168282444
3-(2-Fluorophenyl)-2-[(2-fluorophenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168284275
3-(2-Fluorophenyl)-2-[(4-fluorophenyl)methyl]-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168291795
US11306096, Example 27
CID 164607395
1-(4-Fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
CID 764514
1-[1-(4-Fluorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
CID 4439550
1-Methyl-3-(4-nitrophenyl)-5-phenylpyrazole
CID 12360502
1-Methyl-5-(3-nitrophenyl)-3-phenylpyrazole
CID 12425521

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 155591403) is 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole is CN1Cc2nn(Cc3cccc([N+](=O)[O-])c3)c(-c3ccccc3F)c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is XEPKCIGMNNYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-22-11-16-18(12-22)21-23(19(16)15-7-2-3-8-17(15)20)10-13-5-4-6-14(9-13)24(25)26/h2-9H,10-12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole?
3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 352.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-methyl-2-[(3-nitrophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 155591403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).