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

C12H12ClN3 — CID 83850624

IUPAC3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(-c2cccc(Cl)c2)c2c1CNC2
InChIInChI=1S/C12H12ClN3/c1-16-11-7-14-6-10(11)12(15-16)8-3-2-4-9(13)5-8/h2-5,14H,6-7H2,1H3
InChIKeyJCEYCCLDVWZCIC-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.34
Rot. Bonds1

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

3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 83850624) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID83850624
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESCn1nc(-c2cccc(Cl)c2)c2c1CNC2
InChIInChI=1S/C12H12ClN3/c1-16-11-7-14-6-10(11)12(15-16)8-3-2-4-9(13)5-8/h2-5,14H,6-7H2,1H3
InChIKeyJCEYCCLDVWZCIC-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281
1-methyl-3-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
CID 156537428
5-chloro-3-(3-chlorophenyl)-1-methylindazole
CID 166430746
2-(3-chlorophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740114
3-(3-chlorophenyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 122619967
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83849643
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
4-(3-chlorophenyl)-3-(4-chlorophenyl)-1-methylpyrazol-5-amine
CID 43158527
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 83850624) is 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is Cn1nc(-c2cccc(Cl)c2)c2c1CNC2.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is JCEYCCLDVWZCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-16-11-7-14-6-10(11)12(15-16)8-3-2-4-9(13)5-8/h2-5,14H,6-7H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 233.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83850624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).