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

C13H16N4 — CID 83862460

IUPAC5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCc1cccc(-n2nc3c(c2N)CN(C)C3)c1
InChIInChI=1S/C13H16N4/c1-9-4-3-5-10(6-9)17-13(14)11-7-16(2)8-12(11)15-17/h3-6H,7-8,14H2,1-2H3
InChIKeyMUFXNQXERLMXLA-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.71
Rot. Bonds1

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

5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 83862460) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
PubChem CID83862460
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCc1cccc(-n2nc3c(c2N)CN(C)C3)c1
InChIInChI=1S/C13H16N4/c1-9-4-3-5-10(6-9)17-13(14)11-7-16(2)8-12(11)15-17/h3-6H,7-8,14H2,1-2H3
InChIKeyMUFXNQXERLMXLA-UHFFFAOYSA-N
XLogP1.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 105422324
6-methyl-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-amine
CID 83862528
3-(3,5-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl)aniline
CID 105485921
3-chloro-2-(3-methylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66020951
2-(3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348310
5-amino-3-tert-butyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 155528637
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
4-(2,6-dichlorophenyl)-1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560803
(2-chlorophenyl)-[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 90501729
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348604
5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795574

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (CID 83862460) is 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is Cc1cccc(-n2nc3c(c2N)CN(C)C3)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is MUFXNQXERLMXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-4-3-5-10(6-9)17-13(14)11-7-16(2)8-12(11)15-17/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 83862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).