1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile

C12H9FN4 — CID 130431108

IUPAC1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESN#CN1Cc2cnn(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C12H9FN4/c13-10-1-3-11(4-2-10)17-12-7-16(8-14)6-9(12)5-15-17/h1-5H,6-7H2
InChIKeyJQACROPZTZISGG-UHFFFAOYSA-N
MW228.23 g/mol
LogP1.81
Rot. Bonds1

About 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile

1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile (PubChem CID 130431108) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
PubChem CID130431108
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile
SMILESN#CN1Cc2cnn(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C12H9FN4/c13-10-1-3-11(4-2-10)17-12-7-16(8-14)6-9(12)5-15-17/h1-5H,6-7H2
InChIKeyJQACROPZTZISGG-UHFFFAOYSA-N
XLogP1.81
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
3-(2-Fluorophenyl)-5-methyl-2-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 155591385
5-(4-Fluorophenyl)-1-phenyl-1H-pyrazole
CID 2768365
1-(4-Fluorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 17475863
1-((5-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412191
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-pyrazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487911
1-((1-(4-fluorophenyl)-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 46228534
(NE)-N-[[3-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 162676001
3-(4-Fluoro-phenyl)-2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992496
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 16189999
1-(2-Fluorophenyl)-3-methylpyrazole-4-carbonitrile
CID 70834779

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile (CID 130431108) is 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile is N#CN1Cc2cnn(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
The InChIKey is JQACROPZTZISGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-10-1-3-11(4-2-10)17-12-7-16(8-14)6-9(12)5-15-17/h1-5H,6-7H2.
What are the key properties of 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile?
1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile has a molecular weight of 228.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 130431108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).