(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

C18H21FN4O2 — CID 38618566

IUPAC(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c(F)c1
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-16(15(19)8-12)23-11-14(9-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-8,13-14H,9-11H2,1-2H3,(H,21,25)/t13-,14+/m1/s1
InChIKeyQLFRVAAWVOVBMQ-KGLIPLIRSA-N
MW344.39 g/mol
LogP1.89
Rot. Bonds5

About (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 38618566) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID38618566
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c(F)c1
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-16(15(19)8-12)23-11-14(9-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-8,13-14H,9-11H2,1-2H3,(H,21,25)/t13-,14+/m1/s1
InChIKeyQLFRVAAWVOVBMQ-KGLIPLIRSA-N
XLogP1.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 38615395
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
(3S)-1-(2-fluoro-4-methylphenyl)-N-(2-imidazol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 94021870
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55749401
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 55750077
N-(3-ethylphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686190
methyl 3-[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995689
1-(2-fluoro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55606546
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
(3S)-1-(2-ethylphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726455
(3S)-1-(2-ethylphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 52726453

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 38618566) is (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)Cn3cccn3)CC2=O)c(F)c1.
What is the InChIKey of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is QLFRVAAWVOVBMQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-4-5-16(15(19)8-12)23-11-14(9-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-8,13-14H,9-11H2,1-2H3,(H,21,25)/t13-,14+/m1/s1.
What are the key properties of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 38618566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).