5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one

C18H23FN4O — CID 75518196

IUPAC5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one
SMILESCC(CCn1cccn1)NC1CC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13(8-11-23-10-3-9-20-23)21-16-12-17(24)22(2)18(16)14-4-6-15(19)7-5-14/h3-7,9-10,13,16,18,21H,8,11-12H2,1-2H3
InChIKeySLAPTSUBPFCIPO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.36
Rot. Bonds6

About 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one

5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one (PubChem CID 75518196) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one
PubChem CID75518196
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one
SMILESCC(CCn1cccn1)NC1CC(=O)N(C)C1c1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c1-13(8-11-23-10-3-9-20-23)21-16-12-17(24)22(2)18(16)14-4-6-15(19)7-5-14/h3-7,9-10,13,16,18,21H,8,11-12H2,1-2H3
InChIKeySLAPTSUBPFCIPO-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one (CID 75518196) is 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one is CC(CCn1cccn1)NC1CC(=O)N(C)C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one?
The InChIKey is SLAPTSUBPFCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13(8-11-23-10-3-9-20-23)21-16-12-17(24)22(2)18(16)14-4-6-15(19)7-5-14/h3-7,9-10,13,16,18,21H,8,11-12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one?
5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one has a molecular weight of 330.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-4-(4-pyrazol-1-ylbutan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 75518196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).