(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone

C13H21N3O — CID 56725198

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-4-16-6-5-12(14-16)13(17)15-8-10(2)7-11(3)9-15/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyGKPYVWKXWHEVNN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone (PubChem CID 56725198) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
PubChem CID56725198
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(C)CC(C)C2)n1
InChIInChI=1S/C13H21N3O/c1-4-16-6-5-12(14-16)13(17)15-8-10(2)7-11(3)9-15/h5-6,10-11H,4,7-9H2,1-3H3
InChIKeyGKPYVWKXWHEVNN-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(3,5-dimethylpiperidin-1-yl)-[1-(phenoxymethyl)pyrazol-3-yl]methanone
CID 45147693
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
2-[3-(3,5-dimethylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623477
(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164632354
(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202784
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(1-ethylpyrazol-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279210
[(3aS,5R,6R,7aR)-5-(benzimidazol-1-yl)-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1-ethylpyrazol-3-yl)methanone
CID 172673819

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone (CID 56725198) is (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CC(C)CC(C)C2)n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is GKPYVWKXWHEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16-6-5-12(14-16)13(17)15-8-10(2)7-11(3)9-15/h5-6,10-11H,4,7-9H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 56725198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).