3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

C15H19N3 — CID 172596733

IUPAC3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCc1nn(-c2ccccc2C(C)C)c2c1CNC2
InChIInChI=1S/C15H19N3/c1-10(2)12-6-4-5-7-14(12)18-15-9-16-8-13(15)11(3)17-18/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMVMABSKBXKTHEH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.91
Rot. Bonds2

About 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole

3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 172596733) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID172596733
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCc1nn(-c2ccccc2C(C)C)c2c1CNC2
InChIInChI=1S/C15H19N3/c1-10(2)12-6-4-5-7-14(12)18-15-9-16-8-13(15)11(3)17-18/h4-7,10,16H,8-9H2,1-3H3
InChIKeyMVMABSKBXKTHEH-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481974
3,6,6-trimethyl-1-(2-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 624659
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976
4-(chloromethyl)-3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82091044
[3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazol-4-yl]methanamine
CID 82085269
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 82089552
1-(2,4-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586496
3-cyclopropyl-1-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 82084757
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
(1S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 63372060

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 172596733) is 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is Cc1nn(-c2ccccc2C(C)C)c2c1CNC2.
What is the InChIKey of 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is MVMABSKBXKTHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10(2)12-6-4-5-7-14(12)18-15-9-16-8-13(15)11(3)17-18/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 241.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 172596733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).