3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol

C18H15N3O — CID 136649886

IUPAC3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol
SMILESCc1ccc(-c2n[nH]c3c(O)[nH]c(-c4ccccc4)c23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)16-14-15(12-5-3-2-4-6-12)19-18(22)17(14)21-20-16/h2-10,19,21-22H,1H3
InChIKeyQIMRIPSHQGWFJP-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.24
Rot. Bonds2

About 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol

3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol (PubChem CID 136649886) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol
PubChem CID136649886
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol
SMILESCc1ccc(-c2n[nH]c3c(O)[nH]c(-c4ccccc4)c23)cc1
InChIInChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)16-14-15(12-5-3-2-4-6-12)19-18(22)17(14)21-20-16/h2-10,19,21-22H,1H3
InChIKeyQIMRIPSHQGWFJP-UHFFFAOYSA-N
XLogP4.24
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol?
The IUPAC name of 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol (CID 136649886) is 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol.
What is the SMILES notation for 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol?
The canonical SMILES for 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol is Cc1ccc(-c2n[nH]c3c(O)[nH]c(-c4ccccc4)c23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol?
The InChIKey is QIMRIPSHQGWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-7-9-13(10-8-11)16-14-15(12-5-3-2-4-6-12)19-18(22)17(14)21-20-16/h2-10,19,21-22H,1H3.
What are the key properties of 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol?
3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol has a molecular weight of 289.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-phenyl-1,5-dihydropyrrolo[3,4-c]pyrazol-6-ol is sourced from PubChem (CID 136649886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).