1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone

C13H21N3O — CID 155764615

IUPAC1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone
SMILESCC(C)C1CCN(C(=O)Cc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)12-3-5-16(6-4-12)13(17)7-11-8-14-15-9-11/h8-10,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPYSFUOFVCATYRF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone

1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone (PubChem CID 155764615) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone
PubChem CID155764615
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone
SMILESCC(C)C1CCN(C(=O)Cc2cn[nH]c2)CC1
InChIInChI=1S/C13H21N3O/c1-10(2)12-3-5-16(6-4-12)13(17)7-11-8-14-15-9-11/h8-10,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyPYSFUOFVCATYRF-UHFFFAOYSA-N
XLogP1.85
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-pyrazol-4-yl)piperidine-2,6-dione
CID 166739211
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704
N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132302263
(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
CID 71869022
tert-butyl 3-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 67996186
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840
N,N-dimethyl-2-(1H-pyrazol-4-yl)acetamide
CID 91481797
(4-propan-2-ylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 103692709

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone (CID 155764615) is 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone is CC(C)C1CCN(C(=O)Cc2cn[nH]c2)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone?
The InChIKey is PYSFUOFVCATYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)12-3-5-16(6-4-12)13(17)7-11-8-14-15-9-11/h8-10,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone?
1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)-2-(1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 155764615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).