4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C14H15N3O2 — CID 6490775

IUPAC4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccc(C2c3c(n[nH]c3C)C(=O)N2C)c1
InChIInChI=1S/C14H15N3O2/c1-8-11-12(16-15-8)14(18)17(2)13(11)9-5-4-6-10(7-9)19-3/h4-7,13H,1-3H3,(H,15,16)
InChIKeyGZFZVMLPXUCAOT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.90
Rot. Bonds2

About 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 6490775) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID6490775
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccc(C2c3c(n[nH]c3C)C(=O)N2C)c1
InChIInChI=1S/C14H15N3O2/c1-8-11-12(16-15-8)14(18)17(2)13(11)9-5-4-6-10(7-9)19-3/h4-7,13H,1-3H3,(H,15,16)
InChIKeyGZFZVMLPXUCAOT-UHFFFAOYSA-N
XLogP1.90
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 6490775) is 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is COc1cccc(C2c3c(n[nH]c3C)C(=O)N2C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is GZFZVMLPXUCAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-11-12(16-15-8)14(18)17(2)13(11)9-5-4-6-10(7-9)19-3/h4-7,13H,1-3H3,(H,15,16).
What are the key properties of 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 257.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 6490775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).