methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

C21H19N3O3 — CID 3436636

IUPACmethyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19N3O3/c1-12-4-10-16(11-5-12)24-19(17-13(2)22-23-18(17)20(24)25)14-6-8-15(9-7-14)21(26)27-3/h4-11,19H,1-3H3,(H,22,23)
InChIKeyQQXYVCDNGJFOJM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.56
Rot. Bonds3

About methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate (PubChem CID 3436636) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
PubChem CID3436636
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Namemethyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C21H19N3O3/c1-12-4-10-16(11-5-12)24-19(17-13(2)22-23-18(17)20(24)25)14-6-8-15(9-7-14)21(26)27-3/h4-11,19H,1-3H3,(H,22,23)
InChIKeyQQXYVCDNGJFOJM-UHFFFAOYSA-N
XLogP3.56
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate 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

Ethyl 4-[4-(2-methoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 3826960
ethyl 4-(4-(4-hydroxyphenyl)-3-methyl-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662765
ethyl 4-(3-methyl-6-oxo-4-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl)benzoate
CID 662826
4-(4-isopropylphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
CID 16020067
Ethyl 4-[3-tert-butyl-4-(2-methoxyphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
CID 58365762
4-[4-(4-Ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoic acid
CID 16020038
Ethyl 4-[4-(4-ethylphenyl)-6-oxo-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020073
Ethyl 4-[4-(4-ethylphenyl)-3-methyl-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020121
Ethyl 4-[4-(3-bromophenyl)-3-methyl-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020141
methyl 4-(4,6-dioxo-3-stearoylpyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate
CID 46888227
ethyl 4-[4-(4-methoxyphenyl)-3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
CID 662967
Ethyl 4-[3-(4-methoxyphenyl)-4-(4-methylphenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-C]pyrazol-5-YL]benzoate
CID 16020100

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The IUPAC name of methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate (CID 3436636) is methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate is COC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
The InChIKey is QQXYVCDNGJFOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12-4-10-16(11-5-12)24-19(17-13(2)22-23-18(17)20(24)25)14-6-8-15(9-7-14)21(26)27-3/h4-11,19H,1-3H3,(H,22,23).
What are the key properties of methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate?
methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate has a molecular weight of 361.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate is sourced from PubChem (CID 3436636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).