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

C13H22N4O — CID 43382384

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCCC2C)c(C)c1N
InChIInChI=1S/C13H22N4O/c1-9-6-4-5-7-16(9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8,14H2,1-3H3
InChIKeySCJAABFZCCHWPD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.48
Rot. Bonds2

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43382384) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID43382384
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCCC2C)c(C)c1N
InChIInChI=1S/C13H22N4O/c1-9-6-4-5-7-16(9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8,14H2,1-3H3
InChIKeySCJAABFZCCHWPD-UHFFFAOYSA-N
XLogP1.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124766
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 43445232
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 879108
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61320656
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)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
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-(1,4-thiazepan-4-yl)ethanone
CID 61418370
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-methylsulfonylthiomorpholin-4-yl)ethanone
CID 66382558

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 43382384) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is Cc1nn(CC(=O)N2CCCCC2C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is SCJAABFZCCHWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-6-4-5-7-16(9)12(18)8-17-11(3)13(14)10(2)15-17/h9H,4-8,14H2,1-3H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 250.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43382384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).