2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one

C20H21N3O — CID 135355039

IUPAC2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)c3c2CCC3)cn1
InChIInChI=1S/C20H21N3O/c1-14(15-7-4-3-5-8-15)23-12-16(11-21-23)19-13-22(2)20(24)18-10-6-9-17(18)19/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyMNYBCXOBUOYSLQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one

2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one (PubChem CID 135355039) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one.

Molecular Properties

Compound Name2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
PubChem CID135355039
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
SMILESCC(c1ccccc1)n1cc(-c2cn(C)c(=O)c3c2CCC3)cn1
InChIInChI=1S/C20H21N3O/c1-14(15-7-4-3-5-8-15)23-12-16(11-21-23)19-13-22(2)20(24)18-10-6-9-17(18)19/h3-5,7-8,11-14H,6,9-10H2,1-2H3
InChIKeyMNYBCXOBUOYSLQ-UHFFFAOYSA-N
XLogP3.35
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The IUPAC name of 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one (CID 135355039) is 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one.
What is the SMILES notation for 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The canonical SMILES for 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one is CC(c1ccccc1)n1cc(-c2cn(C)c(=O)c3c2CCC3)cn1.
What is the InChIKey of 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
The InChIKey is MNYBCXOBUOYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(15-7-4-3-5-8-15)23-12-16(11-21-23)19-13-22(2)20(24)18-10-6-9-17(18)19/h3-5,7-8,11-14H,6,9-10H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one?
2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one has a molecular weight of 319.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(1-phenylethyl)pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one is sourced from PubChem (CID 135355039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).