5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C22H22BrN3O3 — CID 58365275

IUPAC5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O3/c1-22(2,12-27)20-17-18(24-25-20)21(28)26(14-10-8-13(23)9-11-14)19(17)15-6-4-5-7-16(15)29-3/h4-11,19,27H,12H2,1-3H3,(H,24,25)
InChIKeyDGMVNSUVNQWTDU-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.20
Rot. Bonds5

About 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365275) has the molecular formula C22H22BrN3O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365275
Molecular FormulaC22H22BrN3O3
Molecular Weight456.34 g/mol
Exact Mass455.08
IUPAC Name5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O3/c1-22(2,12-27)20-17-18(24-25-20)21(28)26(14-10-8-13(23)9-11-14)19(17)15-6-4-5-7-16(15)29-3/h4-11,19,27H,12H2,1-3H3,(H,24,25)
InChIKeyDGMVNSUVNQWTDU-UHFFFAOYSA-N
XLogP4.20
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]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 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365275) is 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is DGMVNSUVNQWTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O3/c1-22(2,12-27)20-17-18(24-25-20)21(28)26(14-10-8-13(23)9-11-14)19(17)15-6-4-5-7-16(15)29-3/h4-11,19,27H,12H2,1-3H3,(H,24,25).
What are the key properties of 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 456.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).