2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

C16H23N3O2 — CID 79538965

IUPAC2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C16H23N3O2/c1-3-19-14(10-11(2)17-19)16(21)18-9-5-7-13(18)12-6-4-8-15(12)20/h10,12-13H,3-9H2,1-2H3
InChIKeyKETQAWGUFKUUGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds3

About 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one

2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 79538965) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID79538965
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
SMILESCCn1nc(C)cc1C(=O)N1CCCC1C1CCCC1=O
InChIInChI=1S/C16H23N3O2/c1-3-19-14(10-11(2)17-19)16(21)18-9-5-7-13(18)12-6-4-8-15(12)20/h10,12-13H,3-9H2,1-2H3
InChIKeyKETQAWGUFKUUGJ-UHFFFAOYSA-N
XLogP2.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one (CID 79538965) is 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is CCn1nc(C)cc1C(=O)N1CCCC1C1CCCC1=O.
What is the InChIKey of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is KETQAWGUFKUUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19-14(10-11(2)17-19)16(21)18-9-5-7-13(18)12-6-4-8-15(12)20/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 289.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 79538965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).