(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

C19H23N3O3 — CID 91643347

IUPAC(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(N2CC(C(=O)Oc3c(C)nn(C)c3C)CC2=O)c1C
InChIInChI=1S/C19H23N3O3/c1-11-7-6-8-16(12(11)2)22-10-15(9-17(22)23)19(24)25-18-13(3)20-21(5)14(18)4/h6-8,15H,9-10H2,1-5H3
InChIKeyCZZSBEJINIFISP-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.61
Rot. Bonds3

About (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 91643347) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID91643347
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCc1cccc(N2CC(C(=O)Oc3c(C)nn(C)c3C)CC2=O)c1C
InChIInChI=1S/C19H23N3O3/c1-11-7-6-8-16(12(11)2)22-10-15(9-17(22)23)19(24)25-18-13(3)20-21(5)14(18)4/h6-8,15H,9-10H2,1-5H3
InChIKeyCZZSBEJINIFISP-UHFFFAOYSA-N
XLogP2.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
(4-nitrophenyl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42997291
1,3-benzodioxol-5-yl (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7741524
(2,3-dimethylphenyl) (3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057575
(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
2-(1,3-dioxoisoindol-2-yl)ethyl (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830297
(4-phenylphenyl) (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057474
(3,4-dimethylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 973275
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830381
(2-acetylphenyl) (3R)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057479
[2-(4-fluorophenyl)-2-oxoethyl] (3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830300
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830281

Frequently Asked Questions

What is the IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 91643347) is (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is Cc1cccc(N2CC(C(=O)Oc3c(C)nn(C)c3C)CC2=O)c1C.
What is the InChIKey of (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CZZSBEJINIFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-11-7-6-8-16(12(11)2)22-10-15(9-17(22)23)19(24)25-18-13(3)20-21(5)14(18)4/h6-8,15H,9-10H2,1-5H3.
What are the key properties of (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate?
(1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5-trimethylpyrazol-4-yl) 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 91643347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).