3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one

C19H24FN3O — CID 170055673

IUPAC3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(n3ccc(C(C)(C)C)n3)C2=O)cc(C)c1F
InChIInChI=1S/C19H24FN3O/c1-12-10-14(11-13(2)17(12)20)22-8-6-15(18(22)24)23-9-7-16(21-23)19(3,4)5/h7,9-11,15H,6,8H2,1-5H3
InChIKeySYRQOEKWEHZKBU-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.91
Rot. Bonds2

About 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one

3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one (PubChem CID 170055673) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one
PubChem CID170055673
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(n3ccc(C(C)(C)C)n3)C2=O)cc(C)c1F
InChIInChI=1S/C19H24FN3O/c1-12-10-14(11-13(2)17(12)20)22-8-6-15(18(22)24)23-9-7-16(21-23)19(3,4)5/h7,9-11,15H,6,8H2,1-5H3
InChIKeySYRQOEKWEHZKBU-UHFFFAOYSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one (CID 170055673) is 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one is Cc1cc(N2CCC(n3ccc(C(C)(C)C)n3)C2=O)cc(C)c1F.
What is the InChIKey of 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is SYRQOEKWEHZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-12-10-14(11-13(2)17(12)20)22-8-6-15(18(22)24)23-9-7-16(21-23)19(3,4)5/h7,9-11,15H,6,8H2,1-5H3.
What are the key properties of 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one?
3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylpyrazol-1-yl)-1-(4-fluoro-3,5-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 170055673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).