4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C17H13N3O2 — CID 4204370

IUPAC4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1NC(c2ccc(O)cc2)c2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C17H13N3O2/c21-12-8-6-11(7-9-12)14-13-15(10-4-2-1-3-5-10)19-20-16(13)17(22)18-14/h1-9,14,21H,(H,18,22)(H,19,20)
InChIKeyRPZICXOAOIBXJT-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.62
Rot. Bonds2

About 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 4204370) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID4204370
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1NC(c2ccc(O)cc2)c2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C17H13N3O2/c21-12-8-6-11(7-9-12)14-13-15(10-4-2-1-3-5-10)19-20-16(13)17(22)18-14/h1-9,14,21H,(H,18,22)(H,19,20)
InChIKeyRPZICXOAOIBXJT-UHFFFAOYSA-N
XLogP2.62
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 4204370) is 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is O=C1NC(c2ccc(O)cc2)c2c(-c3ccccc3)n[nH]c21.
What is the InChIKey of 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is RPZICXOAOIBXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-12-8-6-11(7-9-12)14-13-15(10-4-2-1-3-5-10)19-20-16(13)17(22)18-14/h1-9,14,21H,(H,18,22)(H,19,20).
What are the key properties of 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 291.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 4204370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).