5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C18H13Cl2N3O — CID 155563628

IUPAC5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C18H13Cl2N3O/c1-10-15-16(22-21-10)18(24)23(14-4-2-3-13(20)9-14)17(15)11-5-7-12(19)8-6-11/h2-9,17H,1H3,(H,21,22)
InChIKeyICUIXFPXTPCLMF-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.77
Rot. Bonds2

About 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 155563628) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID155563628
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C18H13Cl2N3O/c1-10-15-16(22-21-10)18(24)23(14-4-2-3-13(20)9-14)17(15)11-5-7-12(19)8-6-11/h2-9,17H,1H3,(H,21,22)
InChIKeyICUIXFPXTPCLMF-UHFFFAOYSA-N
XLogP4.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 73438724
4-(4-chlorophenyl)-5-(4-methylphenyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 4639162
(4R)-5-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 41078778
ethyl 4-[(4R)-3-methyl-4-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 51408181
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 662815
2-(3-chlorophenyl)-1-(4-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857332
(4S)-3-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 7464452
(4S)-4-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 1382121
(4S)-5-(4-bromophenyl)-3-methyl-4-pyridin-3-yl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 981407
4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 3696568
(4R)-4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 936928
(4R)-5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 1399579

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 155563628) is 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ICUIXFPXTPCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c1-10-15-16(22-21-10)18(24)23(14-4-2-3-13(20)9-14)17(15)11-5-7-12(19)8-6-11/h2-9,17H,1H3,(H,21,22).
What are the key properties of 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 358.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 155563628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).