2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C14H24N4O — CID 56779303

IUPAC2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H24N4O/c1-3-16(4-2)12-14(19)18-10-5-7-13(18)11-17-9-6-8-15-17/h6,8-9,13H,3-5,7,10-12H2,1-2H3
InChIKeySTJFDSNCKCHYAD-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.22
Rot. Bonds6

About 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 56779303) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID56779303
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C14H24N4O/c1-3-16(4-2)12-14(19)18-10-5-7-13(18)11-17-9-6-8-15-17/h6,8-9,13H,3-5,7,10-12H2,1-2H3
InChIKeySTJFDSNCKCHYAD-UHFFFAOYSA-N
XLogP1.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 56779303) is 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is CCN(CC)CC(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is STJFDSNCKCHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-16(4-2)12-14(19)18-10-5-7-13(18)11-17-9-6-8-15-17/h6,8-9,13H,3-5,7,10-12H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56779303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).