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

C16H17N3O2 — CID 6491399

IUPAC4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C(=O)C2CC(=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
InChIKeyOVAXOBDUCHIXNT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.19
Rot. Bonds2

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

4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 6491399) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID6491399
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESCc1cc(C)n(C(=O)C2CC(=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
InChIKeyOVAXOBDUCHIXNT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 6491399) is 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one is Cc1cc(C)n(C(=O)C2CC(=O)N(c3ccccc3)C2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is OVAXOBDUCHIXNT-UHFFFAOYSA-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.
What are the key properties of 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one?
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 4-(3,5-dimethylpyrazole-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 6491399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).