1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one

C23H24FN3O2 — CID 161203994

IUPAC1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCc1cc(N2CCC(Cc3ccc(F)c(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H24FN3O2/c1-3-16-12-19(5-6-20(16)18-13-25-26-14-18)27-9-8-17(23(27)28)10-15-4-7-21(24)22(11-15)29-2/h4-7,11-14,17H,3,8-10H2,1-2H3,(H,25,26)
InChIKeyUVIXQOUSENIJHJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.38
Rot. Bonds6

About 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one

1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 161203994) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID161203994
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCCc1cc(N2CCC(Cc3ccc(F)c(OC)c3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H24FN3O2/c1-3-16-12-19(5-6-20(16)18-13-25-26-14-18)27-9-8-17(23(27)28)10-15-4-7-21(24)22(11-15)29-2/h4-7,11-14,17H,3,8-10H2,1-2H3,(H,25,26)
InChIKeyUVIXQOUSENIJHJ-UHFFFAOYSA-N
XLogP4.38
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 157443084
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158702947
3-[(3-chlorophenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118238909
1-[3-(1-hydroxyethyl)-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 158605330
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)pyrrolidin-2-one;3-[(3-methoxyphenyl)methyl]-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 118239100
3-(4-fluoro-3-methoxyanilino)-1-[6-methyl-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyrrolidin-2-one
CID 122515822
3-[[2-oxo-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 148515048
3-(4-fluoro-2-methylanilino)-1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
CID 138567307
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515789
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
CID 134254296
3-ethyl-1-(4-fluoro-3-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 114840984
2-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-5-methyl-4H-1,2,4-triazol-3-one
CID 158684402

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one (CID 161203994) is 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one is CCc1cc(N2CCC(Cc3ccc(F)c(OC)c3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is UVIXQOUSENIJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-3-16-12-19(5-6-20(16)18-13-25-26-14-18)27-9-8-17(23(27)28)10-15-4-7-21(24)22(11-15)29-2/h4-7,11-14,17H,3,8-10H2,1-2H3,(H,25,26).
What are the key properties of 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one?
1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 393.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-3-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 161203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).