2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C15H21N3O2 — CID 79547293

IUPAC2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2=O)n(C)n1
InChIInChI=1S/C15H21N3O2/c1-10-9-13(17(2)16-10)15(20)18-8-4-6-12(18)11-5-3-7-14(11)19/h9,11-12H,3-8H2,1-2H3
InChIKeyNEDJRCJYZLZYJS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.70
Rot. Bonds2

About 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79547293) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79547293
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCc1cc(C(=O)N2CCCC2C2CCCC2=O)n(C)n1
InChIInChI=1S/C15H21N3O2/c1-10-9-13(17(2)16-10)15(20)18-8-4-6-12(18)11-5-3-7-14(11)19/h9,11-12H,3-8H2,1-2H3
InChIKeyNEDJRCJYZLZYJS-UHFFFAOYSA-N
XLogP1.70
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79547293) is 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is Cc1cc(C(=O)N2CCCC2C2CCCC2=O)n(C)n1.
What is the InChIKey of 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is NEDJRCJYZLZYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-13(17(2)16-10)15(20)18-8-4-6-12(18)11-5-3-7-14(11)19/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 275.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79547293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).