1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone

C13H21N3O — CID 115092508

IUPAC1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C2CCCN(C(C)C)C2)[nH]n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-6-4-5-11(8-16)13-7-12(10(3)17)14-15-13/h7,9,11H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyUYFVLAKSDLJDOS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds3

About 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone

1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone (PubChem CID 115092508) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
PubChem CID115092508
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(C2CCCN(C(C)C)C2)[nH]n1
InChIInChI=1S/C13H21N3O/c1-9(2)16-6-4-5-11(8-16)13-7-12(10(3)17)14-15-13/h7,9,11H,4-6,8H2,1-3H3,(H,14,15)
InChIKeyUYFVLAKSDLJDOS-UHFFFAOYSA-N
XLogP2.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
5-[(3S)-1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97021234
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[1-[1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373902
5-[(3S)-1-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97318255
5-[(3S)-1-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513956
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
[3-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-5-yl]methanamine
CID 115092470

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone (CID 115092508) is 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone is CC(=O)c1cc(C2CCCN(C(C)C)C2)[nH]n1.
What is the InChIKey of 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone?
The InChIKey is UYFVLAKSDLJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)16-6-4-5-11(8-16)13-7-12(10(3)17)14-15-13/h7,9,11H,4-6,8H2,1-3H3,(H,14,15).
What are the key properties of 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone?
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone is sourced from PubChem (CID 115092508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).