(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one

C24H27FN4O — CID 89476996

IUPAC(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one
SMILESCCCc1cccc(-c2cc(NC(C)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1
InChIInChI=1S/C24H27FN4O/c1-3-6-17-7-4-8-18(11-17)22-14-23(27-16(2)19-12-24(30)26-15-19)28-29(22)21-10-5-9-20(25)13-21/h4-5,7-11,13-14,16,19H,3,6,12,15H2,1-2H3,(H,26,30)(H,27,28)/t16?,19-/m1/s1
InChIKeyPGVYZEDNYOWBMR-LRTDYKAYSA-N
MW406.51 g/mol
LogP4.57
Rot. Bonds7

About (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one

(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one (PubChem CID 89476996) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one
PubChem CID89476996
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one
SMILESCCCc1cccc(-c2cc(NC(C)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1
InChIInChI=1S/C24H27FN4O/c1-3-6-17-7-4-8-18(11-17)22-14-23(27-16(2)19-12-24(30)26-15-19)28-29(22)21-10-5-9-20(25)13-21/h4-5,7-11,13-14,16,19H,3,6,12,15H2,1-2H3,(H,26,30)(H,27,28)/t16?,19-/m1/s1
InChIKeyPGVYZEDNYOWBMR-LRTDYKAYSA-N
XLogP4.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-5-oxo-N-[1-[3-(propan-2-yloxymethyl)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476612
(3S)-N-[1-(3-hydroxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476601
(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477020
(3S)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476870
(3R)-N-[1-(2-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 90656989
(3S)-N-[1-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476607
(3S)-5-oxo-N-[1-phenyl-5-[3-[[(2S)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476715
(3S)-N-[1-(2-methoxyphenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89477035
2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 89476717
(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 89476663
(3S)-N-[5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]-1-phenylpyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 71287884
(3R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-5-methylidenepyrrolidine-3-carboxamide
CID 158031706

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one (CID 89476996) is (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one is CCCc1cccc(-c2cc(NC(C)[C@H]3CNC(=O)C3)nn2-c2cccc(F)c2)c1.
What is the InChIKey of (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is PGVYZEDNYOWBMR-LRTDYKAYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-3-6-17-7-4-8-18(11-17)22-14-23(27-16(2)19-12-24(30)26-15-19)28-29(22)21-10-5-9-20(25)13-21/h4-5,7-11,13-14,16,19H,3,6,12,15H2,1-2H3,(H,26,30)(H,27,28)/t16?,19-/m1/s1.
What are the key properties of (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one?
(4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[1-[[1-(3-fluorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 89476996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).