3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C19H24N4O — CID 166293940

IUPAC3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCN(C1CC(c2ccccc2)C1)C1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C19H24N4O/c1-21-10-9-18(20-21)23-11-8-17(19(23)24)22(2)16-12-15(13-16)14-6-4-3-5-7-14/h3-7,9-10,15-17H,8,11-13H2,1-2H3
InChIKeyCMGADGNATNQNJF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.40
Rot. Bonds4

About 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 166293940) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID166293940
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCN(C1CC(c2ccccc2)C1)C1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C19H24N4O/c1-21-10-9-18(20-21)23-11-8-17(19(23)24)22(2)16-12-15(13-16)14-6-4-3-5-7-14/h3-7,9-10,15-17H,8,11-13H2,1-2H3
InChIKeyCMGADGNATNQNJF-UHFFFAOYSA-N
XLogP2.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 166293940) is 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is CN(C1CC(c2ccccc2)C1)C1CCN(c2ccn(C)n2)C1=O.
What is the InChIKey of 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is CMGADGNATNQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-21-10-9-18(20-21)23-11-8-17(19(23)24)22(2)16-12-15(13-16)14-6-4-3-5-7-14/h3-7,9-10,15-17H,8,11-13H2,1-2H3.
What are the key properties of 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-phenylcyclobutyl)amino]-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 166293940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).