3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

C20H24N4O2 — CID 74068914

IUPAC3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)C2NNC(c3cccc(OC)c3)C2C1c1cccnc1
InChIInChI=1S/C20H24N4O2/c1-3-10-24-19(14-7-5-9-21-12-14)16-17(22-23-18(16)20(24)25)13-6-4-8-15(11-13)26-2/h4-9,11-12,16-19,22-23H,3,10H2,1-2H3
InChIKeyMPHCMAUXZHLSML-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.22
Rot. Bonds5

About 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one

3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 74068914) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID74068914
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
SMILESCCCN1C(=O)C2NNC(c3cccc(OC)c3)C2C1c1cccnc1
InChIInChI=1S/C20H24N4O2/c1-3-10-24-19(14-7-5-9-21-12-14)16-17(22-23-18(16)20(24)25)13-6-4-8-15(11-13)26-2/h4-9,11-12,16-19,22-23H,3,10H2,1-2H3
InChIKeyMPHCMAUXZHLSML-UHFFFAOYSA-N
XLogP2.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one (CID 74068914) is 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is CCCN1C(=O)C2NNC(c3cccc(OC)c3)C2C1c1cccnc1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is MPHCMAUXZHLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-10-24-19(14-7-5-9-21-12-14)16-17(22-23-18(16)20(24)25)13-6-4-8-15(11-13)26-2/h4-9,11-12,16-19,22-23H,3,10H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one?
3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 352.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-propyl-4-pyridin-3-yl-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 74068914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).