2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C12H12ClN3 — CID 82389881

IUPAC2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c(Cl)cccc1-n1cc2c(n1)CNC2
InChIInChI=1S/C12H12ClN3/c1-8-10(13)3-2-4-12(8)16-7-9-5-14-6-11(9)15-16/h2-4,7,14H,5-6H2,1H3
InChIKeySBSIFOPMIGPCBQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.44
Rot. Bonds1

About 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 82389881) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID82389881
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCc1c(Cl)cccc1-n1cc2c(n1)CNC2
InChIInChI=1S/C12H12ClN3/c1-8-10(13)3-2-4-12(8)16-7-9-5-14-6-11(9)15-16/h2-4,7,14H,5-6H2,1H3
InChIKeySBSIFOPMIGPCBQ-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole 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

2-(2-methylphenyl)-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 82394167
1-(3-chloro-2-methylphenyl)-3-methylpyrazole-4-carbaldehyde
CID 84617551
2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride
CID 118469528
2-(5-methyl-1H-pyrazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96625350
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
[1-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83822954
(2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079396
(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079394
4-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-amine
CID 134086884
1-(3-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106556328
1-(3-chloro-2-methylphenyl)azetidin-3-amine
CID 117002816
4-[2-(3-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 31196224

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 82389881) is 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is Cc1c(Cl)cccc1-n1cc2c(n1)CNC2.
What is the InChIKey of 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is SBSIFOPMIGPCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-10(13)3-2-4-12(8)16-7-9-5-14-6-11(9)15-16/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 233.70 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 82389881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).