5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one

C18H17N3O — CID 135355365

IUPAC5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn3c2CCC3)c(-c2ccccc2)cc1=O
InChIInChI=1S/C18H17N3O/c1-20-12-16(15-11-19-21-9-5-8-17(15)21)14(10-18(20)22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeyOCLMSUZOWRTGOZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.86
Rot. Bonds2

About 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one

5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one (PubChem CID 135355365) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one
PubChem CID135355365
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn3c2CCC3)c(-c2ccccc2)cc1=O
InChIInChI=1S/C18H17N3O/c1-20-12-16(15-11-19-21-9-5-8-17(15)21)14(10-18(20)22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3
InChIKeyOCLMSUZOWRTGOZ-UHFFFAOYSA-N
XLogP2.86
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one?
The IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one (CID 135355365) is 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one.
What is the SMILES notation for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one?
The canonical SMILES for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one is Cn1cc(-c2cnn3c2CCC3)c(-c2ccccc2)cc1=O.
What is the InChIKey of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one?
The InChIKey is OCLMSUZOWRTGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-20-12-16(15-11-19-21-9-5-8-17(15)21)14(10-18(20)22)13-6-3-2-4-7-13/h2-4,6-7,10-12H,5,8-9H2,1H3.
What are the key properties of 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one?
5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)-1-methyl-4-phenylpyridin-2-one is sourced from PubChem (CID 135355365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).