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

C22H22FN3O2 — CID 58045098

IUPAC3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c1-22(2,3)20-17-18(24-25-20)21(27)26(14-11-9-13(23)10-12-14)19(17)15-7-5-6-8-16(15)28-4/h5-12,19H,1-4H3,(H,24,25)
InChIKeyRQBCWIQZVRKIGU-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.60
Rot. Bonds3

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

3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58045098) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58045098
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2/c1-22(2,3)20-17-18(24-25-20)21(27)26(14-11-9-13(23)10-12-14)19(17)15-7-5-6-8-16(15)28-4/h5-12,19H,1-4H3,(H,24,25)
InChIKeyRQBCWIQZVRKIGU-UHFFFAOYSA-N
XLogP4.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-5-(4-fluorophenyl)-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 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58045098) is 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1ccccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is RQBCWIQZVRKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-22(2,3)20-17-18(24-25-20)21(27)26(14-11-9-13(23)10-12-14)19(17)15-7-5-6-8-16(15)28-4/h5-12,19H,1-4H3,(H,24,25).
What are the key properties of 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 379.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(4-fluorophenyl)-4-(2-methoxyphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58045098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).