1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone

C11H17N3O — CID 115092631

IUPAC1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C2CCCCN2)nn1C
InChIInChI=1S/C11H17N3O/c1-8(15)11-7-10(13-14(11)2)9-5-3-4-6-12-9/h7,9,12H,3-6H2,1-2H3
InChIKeyTWIFAKIASYVTCH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds2

About 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone

1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone (PubChem CID 115092631) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
PubChem CID115092631
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone
SMILESCC(=O)c1cc(C2CCCCN2)nn1C
InChIInChI=1S/C11H17N3O/c1-8(15)11-7-10(13-14(11)2)9-5-3-4-6-12-9/h7,9,12H,3-6H2,1-2H3
InChIKeyTWIFAKIASYVTCH-UHFFFAOYSA-N
XLogP1.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexyl-3,3-dimethylbutan-2-yl)-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166401298
ethyl 3-cyclohexyl-2-[(1-methyl-3-pyrrolidin-2-ylpyrazole-5-carbonyl)amino]propanoate;hydrochloride
CID 166303795
1-methyl-3-pyrrolidin-2-yl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 166303808
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
CID 115092483
N-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]-1-methyl-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166303769
2-(1-methylpyrazol-3-yl)azepane
CID 103729377
5-chloro-7-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine
CID 76668404
2-(3-ethyl-1-methylpyrazol-5-yl)azepane
CID 81146779
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
1-[1-methyl-3-(thiolan-2-ylmethyl)pyrazol-5-yl]ethanone
CID 115092703
2-(azepan-2-yl)-5,7-dichloropyrazolo[1,5-a]pyrimidine
CID 58029367
1-methyl-N-[3-methyl-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-3-pyrrolidin-2-ylpyrazole-5-carboxamide
CID 166331786

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone (CID 115092631) is 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone is CC(=O)c1cc(C2CCCCN2)nn1C.
What is the InChIKey of 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone?
The InChIKey is TWIFAKIASYVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(15)11-7-10(13-14(11)2)9-5-3-4-6-12-9/h7,9,12H,3-6H2,1-2H3.
What are the key properties of 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone?
1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-piperidin-2-ylpyrazol-5-yl)ethanone is sourced from PubChem (CID 115092631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).