3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C13H15N3O — CID 83850261

IUPAC3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCOc1ccc(C)cc1-c1n[nH]c2c1CNC2
InChIInChI=1S/C13H15N3O/c1-8-3-4-12(17-2)9(5-8)13-10-6-14-7-11(10)15-16-13/h3-5,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyZOUUDQROUNVIQJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds2

About 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 83850261) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID83850261
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCOc1ccc(C)cc1-c1n[nH]c2c1CNC2
InChIInChI=1S/C13H15N3O/c1-8-3-4-12(17-2)9(5-8)13-10-6-14-7-11(10)15-16-13/h3-5,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyZOUUDQROUNVIQJ-UHFFFAOYSA-N
XLogP2.00
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
3-(2-chloro-3,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538918
3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
CID 39218703
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
CID 82391060
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
3-(2-methoxy-5-methylphenyl)-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446389
ethyl 3-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381782
5-(chloromethyl)-3-(2-methoxy-5-methylphenyl)-1H-pyridazin-6-one
CID 82446377
3-[2-[(4-methylphenyl)methoxy]phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110537634
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
3-(2-methoxy-5-methylphenyl)-1H-pyrazin-2-one
CID 106517368

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 83850261) is 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is COc1ccc(C)cc1-c1n[nH]c2c1CNC2.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is ZOUUDQROUNVIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-3-4-12(17-2)9(5-8)13-10-6-14-7-11(10)15-16-13/h3-5,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 229.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83850261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).