1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C14H18N4O — CID 116601864

IUPAC1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccnc(CN)c2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-3-11-7-13(18(2)17-11)8-14(19)10-4-5-16-12(6-10)9-15/h4-7H,3,8-9,15H2,1-2H3
InChIKeyJRHBAYBNMVGXQL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds5

About 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 116601864) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID116601864
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccnc(CN)c2)n(C)n1
InChIInChI=1S/C14H18N4O/c1-3-11-7-13(18(2)17-11)8-14(19)10-4-5-16-12(6-10)9-15/h4-7H,3,8-9,15H2,1-2H3
InChIKeyJRHBAYBNMVGXQL-UHFFFAOYSA-N
XLogP1.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
1-(3-amino-4-methylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116550975
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 113329351
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
1-[2-(aminomethyl)-4-pyridinyl]-2-methoxyethanone
CID 116601798
1-[2-(aminomethyl)-4-pyridinyl]-2-(3,5-difluorophenyl)ethanone
CID 105412051
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916
1-[2-(aminomethyl)-4-pyridinyl]-2-propoxyethanone
CID 116601901

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 116601864) is 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ccnc(CN)c2)n(C)n1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is JRHBAYBNMVGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11-7-13(18(2)17-11)8-14(19)10-4-5-16-12(6-10)9-15/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116601864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).