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

C18H16ClN3O — CID 102357682

IUPAC3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2
InChIInChI=1S/C18H16ClN3O/c1-23-17-5-3-2-4-16(17)22-18(12-6-8-13(19)9-7-12)14-10-20-11-15(14)21-22/h2-9,20H,10-11H2,1H3
InChIKeyCCLUOYYYNWGEJT-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.80
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 102357682) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID102357682
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2
InChIInChI=1S/C18H16ClN3O/c1-23-17-5-3-2-4-16(17)22-18(12-6-8-13(19)9-7-12)14-10-20-11-15(14)21-22/h2-9,20H,10-11H2,1H3
InChIKeyCCLUOYYYNWGEJT-UHFFFAOYSA-N
XLogP3.80
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,6R)-3'-(4-chlorophenyl)-2'-(2-methoxyphenyl)-4,6-dimethylspiro[1,3-dioxane-2,5'-4,6-dihydrocyclopenta[c]pyrazole]
CID 73331855
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
2-chloro-6-[3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]quinoline;2-chloro-6-iodoquinoline;3-(4-chlorophenyl)-2-[2-(trifluoromethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 161104928
tert-butyl N-[2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethyl]carbamate;2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethanamine;N-[2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]ethyl]methanesulfonamide
CID 157155668
[3-(4-chlorophenyl)-2-(2-ethoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methyl-methylcarbamic acid
CID 150509723
5-(4-chlorophenyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-(2-methoxyphenyl)pyrazole
CID 73291875
4-[(5S)-5-(2-ethyl-4,5-dimethylimidazol-1-yl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]benzonitrile
CID 73331287
1-(2-methoxyphenyl)-3-methyl-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 82072143
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
tert-butyl [3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl] carbonate
CID 122525871
6-[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]-5-hydroxy-2-(2-methoxyphenyl)pyridazin-3-one
CID 108809356
4-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-1,2,4-triazine-3,5-dione
CID 25106719

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 102357682) is 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COc1ccccc1-n1nc2c(c1-c1ccc(Cl)cc1)CNC2.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is CCLUOYYYNWGEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-23-17-5-3-2-4-16(17)22-18(12-6-8-13(19)9-7-12)14-10-20-11-15(14)21-22/h2-9,20H,10-11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 325.80 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 102357682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).