4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C14H15N3O2 — CID 5309050

IUPAC4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)cc1
InChIInChI=1S/C14H15N3O2/c1-3-19-10-6-4-9(5-7-10)12-11-8(2)16-17-13(11)14(18)15-12/h4-7,12H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUSMHEZIKSYPOQV-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.95
Rot. Bonds3

About 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 5309050) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID5309050
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)cc1
InChIInChI=1S/C14H15N3O2/c1-3-19-10-6-4-9(5-7-10)12-11-8(2)16-17-13(11)14(18)15-12/h4-7,12H,3H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyUSMHEZIKSYPOQV-UHFFFAOYSA-N
XLogP1.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 5309050) is 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is CCOc1ccc(C2NC(=O)c3n[nH]c(C)c32)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is USMHEZIKSYPOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-3-19-10-6-4-9(5-7-10)12-11-8(2)16-17-13(11)14(18)15-12/h4-7,12H,3H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 257.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 5309050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).