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

C18H21FN4O2 — CID 38615395

IUPAC(3R)-1-(3-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)cc1F
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-15(9-16(12)19)23-11-14(8-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-7,9,13-14H,8,10-11H2,1-2H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyUYNKSFAHYHABPU-ZIAGYGMSSA-N
MW344.39 g/mol
LogP1.89
Rot. Bonds5

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

(3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 38615395) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
PubChem CID38615395
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name(3R)-1-(3-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)cc1F
InChIInChI=1S/C18H21FN4O2/c1-12-4-5-15(9-16(12)19)23-11-14(8-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-7,9,13-14H,8,10-11H2,1-2H3,(H,21,25)/t13-,14-/m1/s1
InChIKeyUYNKSFAHYHABPU-ZIAGYGMSSA-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

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 38618566
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392
(3R)-1-(3,4-dimethylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40965706
4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120534750
1-(3-fluoro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 18157395
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9393495
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 9352164
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide (CID 38615395) is (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-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)cc1F.
What is the InChIKey of (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is UYNKSFAHYHABPU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-12-4-5-15(9-16(12)19)23-11-14(8-17(23)24)18(25)21-13(2)10-22-7-3-6-20-22/h3-7,9,13-14H,8,10-11H2,1-2H3,(H,21,25)/t13-,14-/m1/s1.
What are the key properties of (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide?
(3R)-1-(3-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 (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 38615395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).