1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C11H18N4O — CID 63263322

IUPAC1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCNCC1CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C11H18N4O/c1-12-7-10-3-6-14(8-10)11(16)9-15-5-2-4-13-15/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyZOORMCSOTJUARW-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.05
Rot. Bonds4

About 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 63263322) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID63263322
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCNCC1CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C11H18N4O/c1-12-7-10-3-6-14(8-10)11(16)9-15-5-2-4-13-15/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyZOORMCSOTJUARW-UHFFFAOYSA-N
XLogP-0.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 62349582
1-(3-aminopiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119380216
1-(4-amino-3-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone;dihydrochloride
CID 119592480
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
1-[3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110246532
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305
2-(4-ethylphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540932
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-(2-pyrazol-1-ylacetyl)piperidine-4-carbohydrazide
CID 63573929
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119540436
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
10-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119539969

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 63263322) is 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is CNCC1CCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is ZOORMCSOTJUARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-12-7-10-3-6-14(8-10)11(16)9-15-5-2-4-13-15/h2,4-5,10,12H,3,6-9H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 222.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 63263322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).