2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C14H24N4O — CID 104966869

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)c1N
InChIInChI=1S/C14H24N4O/c1-9-6-5-7-10(2)18(9)13(19)8-17-12(4)14(15)11(3)16-17/h9-10H,5-8,15H2,1-4H3/t9-,10+
InChIKeyKSRGTXIIXIEKPN-AOOOYVTPSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 104966869) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID104966869
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)c1N
InChIInChI=1S/C14H24N4O/c1-9-6-5-7-10(2)18(9)13(19)8-17-12(4)14(15)11(3)16-17/h9-10H,5-8,15H2,1-4H3/t9-,10+
InChIKeyKSRGTXIIXIEKPN-AOOOYVTPSA-N
XLogP1.87
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 43382384
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8852227
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62124766
cyclobutylmethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 65459981
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43502718
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(cyclobutylmethyl)-N-ethylacetamide
CID 107396881
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-(4,4-dimethylazepan-1-yl)ethanone
CID 65283507
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
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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 104966869) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is Cc1nn(CC(=O)N2[C@H](C)CCC[C@@H]2C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is KSRGTXIIXIEKPN-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-6-5-7-10(2)18(9)13(19)8-17-12(4)14(15)11(3)16-17/h9-10H,5-8,15H2,1-4H3/t9-,10+.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.87, 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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 104966869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).