3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C23H25N3O2 — CID 58365771

IUPAC3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C23H25N3O2/c1-14-10-12-15(13-11-14)26-20(16-8-6-7-9-17(16)28-5)18-19(22(26)27)24-25-21(18)23(2,3)4/h6-13,20H,1-5H3,(H,24,25)
InChIKeyNLLIPZAMDOVPBL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.77
Rot. Bonds3

About 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365771) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365771
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C23H25N3O2/c1-14-10-12-15(13-11-14)26-20(16-8-6-7-9-17(16)28-5)18-19(22(26)27)24-25-21(18)23(2,3)4/h6-13,20H,1-5H3,(H,24,25)
InChIKeyNLLIPZAMDOVPBL-UHFFFAOYSA-N
XLogP4.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[4-(2-methoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 3826960
Ethyl 4-[4-(2,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 662514
ethyl 4-(4-(4-hydroxyphenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662765
4-(4-hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 662815
ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662826
Ethyl 4-[4-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 663202
4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 663328
Methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
CID 3436636
3-(2-Hydroxyethyl)-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044953
3-Butyl-4-(2-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58044957
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045022
3-Tert-butyl-4-(3-methoxyphenyl)-5-[4-(1,2-oxazol-3-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045031

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365771) is 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is NLLIPZAMDOVPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-10-12-15(13-11-14)26-20(16-8-6-7-9-17(16)28-5)18-19(22(26)27)24-25-21(18)23(2,3)4/h6-13,20H,1-5H3,(H,24,25).
What are the key properties of 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 375.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-(2-methoxyphenyl)-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).