2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

C12H20N4O2 — CID 43502718

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(O)C2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-12(13)9(2)16(14-8)7-11(18)15-5-3-4-10(17)6-15/h10,17H,3-7,13H2,1-2H3
InChIKeyFKTFKRHNTZFOOD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.07
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43502718) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43502718
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(O)C2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-12(13)9(2)16(14-8)7-11(18)15-5-3-4-10(17)6-15/h10,17H,3-7,13H2,1-2H3
InChIKeyFKTFKRHNTZFOOD-UHFFFAOYSA-N
XLogP0.07
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 61418370
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124766
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 43445186
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43382384
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 35763347
7-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095527
methyl 4-[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carboxylate
CID 61138194
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43502718) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is Cc1nn(CC(=O)N2CCCC(O)C2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is FKTFKRHNTZFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-12(13)9(2)16(14-8)7-11(18)15-5-3-4-10(17)6-15/h10,17H,3-7,13H2,1-2H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).