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

C16H17N3O2 — CID 7449418

IUPAC(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)19(17-11)16(21)13-9-15(20)18(10-13)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyOVAXOBDUCHIXNT-CYBMUJFWSA-N
MW283.33 g/mol
LogP2.19
Rot. Bonds2

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

(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 7449418) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID7449418
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)19(17-11)16(21)13-9-15(20)18(10-13)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1
InChIKeyOVAXOBDUCHIXNT-CYBMUJFWSA-N
XLogP2.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 851670
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-phenyl-4-(pyrazole-1-carbonyl)pyrrolidin-2-one
CID 110465044
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
4-(benzimidazole-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 18885924
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
4-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122333770
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
4-(benzotriazole-1-carbonyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120583
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 7449418) is (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one is Cc1cc(C)n(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1.
What is the InChIKey of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is OVAXOBDUCHIXNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-12(2)19(17-11)16(21)13-9-15(20)18(10-13)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
(4R)-4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.19, 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-phenylpyrrolidin-2-one is sourced from PubChem (CID 7449418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).