4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

C16H13N3O2S — CID 15990953

IUPAC4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)c1
InChIInChI=1S/C16H13N3O2S/c1-21-10-5-2-4-9(8-10)13-12-14(11-6-3-7-22-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19)
InChIKeyADYCWSPBRISQSJ-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.98
Rot. Bonds3

About 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one

4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 15990953) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID15990953
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCOc1cccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)c1
InChIInChI=1S/C16H13N3O2S/c1-21-10-5-2-4-9(8-10)13-12-14(11-6-3-7-22-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19)
InChIKeyADYCWSPBRISQSJ-UHFFFAOYSA-N
XLogP2.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 15990953) is 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is COc1cccc(C2NC(=O)c3n[nH]c(-c4cccs4)c32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is ADYCWSPBRISQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-10-5-2-4-9(8-10)13-12-14(11-6-3-7-22-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 311.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 15990953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).