(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C12H20N4O — CID 104966891

IUPAC(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)12(17)11-10(13)7-14-15(11)3/h7-9H,4-6,13H2,1-3H3/t8-,9+
InChIKeyRUNKRUMRSJDQBQ-DTORHVGOSA-N
MW236.32 g/mol
LogP1.41
Rot. Bonds1

About (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104966891) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104966891
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1c(N)cnn1C
InChIInChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)12(17)11-10(13)7-14-15(11)3/h7-9H,4-6,13H2,1-3H3/t8-,9+
InChIKeyRUNKRUMRSJDQBQ-DTORHVGOSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
(4-amino-1-methylpyrazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773672
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
4-amino-N,1-dimethyl-N-(3-methylcyclohexyl)pyrazole-5-carboxamide
CID 65359890
(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966894
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236470
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569
4-amino-N-cyclohexyl-1-methylpyrazole-5-carboxamide
CID 65356046
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
CID 130443193

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104966891) is (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1c(N)cnn1C.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is RUNKRUMRSJDQBQ-DTORHVGOSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-4-6-9(2)16(8)12(17)11-10(13)7-14-15(11)3/h7-9H,4-6,13H2,1-3H3/t8-,9+.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 236.32 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104966891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).