2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone

C12H20N4O — CID 115761675

IUPAC2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCn1nccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-2-16-11(5-6-14-16)9-13-10-12(17)15-7-3-4-8-15/h5-6,13H,2-4,7-10H2,1H3
InChIKeyUHZDGJIMKUOQQH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds5

About 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 115761675) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID115761675
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCCn1nccc1CNCC(=O)N1CCCC1
InChIInChI=1S/C12H20N4O/c1-2-16-11(5-6-14-16)9-13-10-12(17)15-7-3-4-8-15/h5-6,13H,2-4,7-10H2,1H3
InChIKeyUHZDGJIMKUOQQH-UHFFFAOYSA-N
XLogP0.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 138010574
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-ylmethylamino)ethanone
CID 115732052
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475
N-[(2-ethylpyrazol-3-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529672
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
2-[[5-(hydroxymethyl)furan-2-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 113242919
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 115761675) is 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone is CCn1nccc1CNCC(=O)N1CCCC1.
What is the InChIKey of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is UHZDGJIMKUOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-11(5-6-14-16)9-13-10-12(17)15-7-3-4-8-15/h5-6,13H,2-4,7-10H2,1H3.
What are the key properties of 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 236.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115761675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).