2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine

C12H13FN4 — CID 105422324

IUPAC2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCN1Cc2nn(-c3ccc(F)cc3)c(N)c2C1
InChIInChI=1S/C12H13FN4/c1-16-6-10-11(7-16)15-17(12(10)14)9-4-2-8(13)3-5-9/h2-5H,6-7,14H2,1H3
InChIKeyJSDXAGVFFVCAOH-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.54
Rot. Bonds1

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

2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 105422324) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
PubChem CID105422324
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCN1Cc2nn(-c3ccc(F)cc3)c(N)c2C1
InChIInChI=1S/C12H13FN4/c1-16-6-10-11(7-16)15-17(12(10)14)9-4-2-8(13)3-5-9/h2-5H,6-7,14H2,1H3
InChIKeyJSDXAGVFFVCAOH-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83862460
6-methyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 83862528
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 83862705
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
3-amino-N-[2-(4-fluorophenyl)ethyl]-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 126832919
1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586279
5-propyl-2-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28903857
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
2-(4-methylsulfonylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-amine
CID 122402968
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(4-fluorophenyl)-6-methyl-7H-pyrazolo[5,4-c]pyridin-4-amine
CID 69190761

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (CID 105422324) is 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is CN1Cc2nn(-c3ccc(F)cc3)c(N)c2C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is JSDXAGVFFVCAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-16-6-10-11(7-16)15-17(12(10)14)9-4-2-8(13)3-5-9/h2-5H,6-7,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 232.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105422324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).