4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C27H27N3O4S — CID 58365253

IUPAC4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C27H27N3O4S/c1-16(2)24-23-25(29-28-24)27(33)30(19-9-7-17(8-10-19)18-11-12-35-15-18)26(23)21-5-3-4-6-22(21)34-20(13-31)14-32/h3-12,15-16,20,26,31-32H,13-14H2,1-2H3,(H,28,29)
InChIKeyORYUFZWTSCZXOY-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.74
Rot. Bonds8

About 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 58365253) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID58365253
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC(C)c1[nH]nc2c1C(c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O
InChIInChI=1S/C27H27N3O4S/c1-16(2)24-23-25(29-28-24)27(33)30(19-9-7-17(8-10-19)18-11-12-35-15-18)26(23)21-5-3-4-6-22(21)34-20(13-31)14-32/h3-12,15-16,20,26,31-32H,13-14H2,1-2H3,(H,28,29)
InChIKeyORYUFZWTSCZXOY-UHFFFAOYSA-N
XLogP4.74
TPSA98.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 58365253) is 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is CC(C)c1[nH]nc2c1C(c1ccccc1OC(CO)CO)N(c1ccc(-c3ccsc3)cc1)C2=O.
What is the InChIKey of 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ORYUFZWTSCZXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-16(2)24-23-25(29-28-24)27(33)30(19-9-7-17(8-10-19)18-11-12-35-15-18)26(23)21-5-3-4-6-22(21)34-20(13-31)14-32/h3-12,15-16,20,26,31-32H,13-14H2,1-2H3,(H,28,29).
What are the key properties of 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 489.60 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dihydroxypropan-2-yloxy)phenyl]-3-propan-2-yl-5-(4-thiophen-3-ylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 58365253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).