(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one

C17H19N3O2 — CID 851670

IUPAC(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)n3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)19-10-14(9-16(19)21)17(22)20-13(3)8-12(2)18-20/h4-8,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyIKONDQFTYBFRDP-CQSZACIVSA-N
MW297.36 g/mol
LogP2.50
Rot. Bonds2

About (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one

(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 851670) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID851670
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](C(=O)n3nc(C)cc3C)CC2=O)cc1
InChIInChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)19-10-14(9-16(19)21)17(22)20-13(3)8-12(2)18-20/h4-8,14H,9-10H2,1-3H3/t14-/m1/s1
InChIKeyIKONDQFTYBFRDP-CQSZACIVSA-N
XLogP2.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 7449418
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122337980
(3S)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9416516
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-1-(4-methylphenyl)-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 99874135
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
4-(5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 90585410
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one (CID 851670) is (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@H](C(=O)n3nc(C)cc3C)CC2=O)cc1.
What is the InChIKey of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is IKONDQFTYBFRDP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-4-6-15(7-5-11)19-10-14(9-16(19)21)17(22)20-13(3)8-12(2)18-20/h4-8,14H,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one?
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).