2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

C13H23N5O — CID 55160891

IUPAC2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C13H23N5O/c1-3-16(4-2)11-5-7-17(9-11)13(19)10-18-8-6-12(14)15-18/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15)
InChIKeyLITLVCQOSZHUSU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.41
Rot. Bonds5

About 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 55160891) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
PubChem CID55160891
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)Cn2ccc(N)n2)C1
InChIInChI=1S/C13H23N5O/c1-3-16(4-2)11-5-7-17(9-11)13(19)10-18-8-6-12(14)15-18/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15)
InChIKeyLITLVCQOSZHUSU-UHFFFAOYSA-N
XLogP0.41
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 62101718
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
1-[2-(3-aminopyrazol-1-yl)acetyl]-N-methylpiperidine-3-carboxamide
CID 103194086
N-[1-[2-(3-aminopyrazol-1-yl)acetyl]piperidin-4-yl]butanamide
CID 62112396
2-(3-aminopyrazol-1-yl)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107210649
2-(3-aminopyrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62101229
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 63168515
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 62113895
2-(3-aminopyrazol-1-yl)-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 114459662

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (CID 55160891) is 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is CCN(CC)C1CCN(C(=O)Cn2ccc(N)n2)C1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is LITLVCQOSZHUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-16(4-2)11-5-7-17(9-11)13(19)10-18-8-6-12(14)15-18/h6,8,11H,3-5,7,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 55160891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).