(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

C13H22N4O — CID 114498196

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nn2C)CC1C
InChIInChI=1S/C13H22N4O/c1-9-8-17(6-5-11(9)14-3)13(18)12-7-10(2)15-16(12)4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyFYSJILGOSPGLIU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (PubChem CID 114498196) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
PubChem CID114498196
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nn2C)CC1C
InChIInChI=1S/C13H22N4O/c1-9-8-17(6-5-11(9)14-3)13(18)12-7-10(2)15-16(12)4/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyFYSJILGOSPGLIU-UHFFFAOYSA-N
XLogP0.80
TPSA50.16 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 81483265
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone (CID 114498196) is (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(C)nn2C)CC1C.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is FYSJILGOSPGLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-8-17(6-5-11(9)14-3)13(18)12-7-10(2)15-16(12)4/h7,9,11,14H,5-6,8H2,1-4H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 250.35 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 114498196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).