3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

C20H20N4O2 — CID 23608271

IUPAC3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-3-11-24-19(14-5-4-10-21-12-14)16-17(22-23-18(16)20(24)25)13-6-8-15(26-2)9-7-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)
InChIKeyVPBWBXPMGCYXGG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.44
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one

3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (PubChem CID 23608271) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
PubChem CID23608271
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
SMILESCCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cccnc1
InChIInChI=1S/C20H20N4O2/c1-3-11-24-19(14-5-4-10-21-12-14)16-17(22-23-18(16)20(24)25)13-6-8-15(26-2)9-7-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23)
InChIKeyVPBWBXPMGCYXGG-UHFFFAOYSA-N
XLogP3.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-4-(3-propoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859028
4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858619
4-(4-butoxyphenyl)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43859109
5-butyl-4-(3-ethoxyphenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858691
5-butyl-4-(3-fluorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858926
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858790
4-(4-ethoxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858659
5-butyl-3-(4-methoxyphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858404
3,4-bis(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858512
4-(4-butoxyphenyl)-3-phenyl-5-propyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855897
5-butyl-4-(2-chlorophenyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858742
4-(4-chlorophenyl)-5-(2-methoxyethyl)-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858801

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one (CID 23608271) is 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is CCCN1C(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C1c1cccnc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is VPBWBXPMGCYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-11-24-19(14-5-4-10-21-12-14)16-17(22-23-18(16)20(24)25)13-6-8-15(26-2)9-7-13/h4-10,12,19H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one?
3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 348.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 23608271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).