(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

C18H23FN4O — CID 42195659

IUPAC(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCn1ncc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C
InChIInChI=1S/C18H23FN4O/c1-3-23-13(2)15(10-21-23)9-20-17-8-18(24)22(12-17)11-14-5-4-6-16(19)7-14/h4-7,10,17,20H,3,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyISGKRDNCTBNIFM-QGZVFWFLSA-N
MW330.41 g/mol
LogP2.24
Rot. Bonds6

About (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one

(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 42195659) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID42195659
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCn1ncc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C
InChIInChI=1S/C18H23FN4O/c1-3-23-13(2)15(10-21-23)9-20-17-8-18(24)22(12-17)11-14-5-4-6-16(19)7-14/h4-7,10,17,20H,3,8-9,11-12H2,1-2H3/t17-/m1/s1
InChIKeyISGKRDNCTBNIFM-QGZVFWFLSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-[(3-fluorophenyl)methyl]-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 42454129
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 95726169
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyrazol-1-ylacetamide
CID 42240654
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxobutanamide
CID 95729706
(4S)-1-[(3-fluorophenyl)methyl]-4-(4,4,4-trifluorobutylamino)pyrrolidin-2-one
CID 42356456
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 42292675
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 42526825
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
N-[(3R)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
CID 42303049
2-(dimethylamino)-N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
CID 45217130
N-[1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 45207199
(4S)-1-(cyclohexylmethyl)-4-[(5-methyl-1-propylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 25277492

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one (CID 42195659) is (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one is CCn1ncc(CN[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C.
What is the InChIKey of (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is ISGKRDNCTBNIFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-3-23-13(2)15(10-21-23)9-20-17-8-18(24)22(12-17)11-14-5-4-6-16(19)7-14/h4-7,10,17,20H,3,8-9,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one?
(4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 42195659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).