4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C22H23N3O — CID 15990943

IUPAC4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(C(C)(C)C)cc2)NC3=O)cc1
InChIInChI=1S/C22H23N3O/c1-13-5-7-15(8-6-13)19-17-18(23-21(26)20(17)25-24-19)14-9-11-16(12-10-14)22(2,3)4/h5-12,18H,1-4H3,(H,23,26)(H,24,25)
InChIKeyUPUXODQADTYDMX-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.52
Rot. Bonds2

About 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 15990943) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID15990943
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1ccc(-c2n[nH]c3c2C(c2ccc(C(C)(C)C)cc2)NC3=O)cc1
InChIInChI=1S/C22H23N3O/c1-13-5-7-15(8-6-13)19-17-18(23-21(26)20(17)25-24-19)14-9-11-16(12-10-14)22(2,3)4/h5-12,18H,1-4H3,(H,23,26)(H,24,25)
InChIKeyUPUXODQADTYDMX-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 15990943) is 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is Cc1ccc(-c2n[nH]c3c2C(c2ccc(C(C)(C)C)cc2)NC3=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is UPUXODQADTYDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-13-5-7-15(8-6-13)19-17-18(23-21(26)20(17)25-24-19)14-9-11-16(12-10-14)22(2,3)4/h5-12,18H,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 345.45 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 15990943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).