[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone

C13H22N4O — CID 78873940

IUPAC[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(N(C)C)CC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-4-10-9-12(15-14-10)13(18)17-7-5-11(6-8-17)16(2)3/h9,11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGSXNEMSWIGYTIR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.14
Rot. Bonds3

About [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone

[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 78873940) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID78873940
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(N(C)C)CC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-4-10-9-12(15-14-10)13(18)17-7-5-11(6-8-17)16(2)3/h9,11H,4-8H2,1-3H3,(H,14,15)
InChIKeyGSXNEMSWIGYTIR-UHFFFAOYSA-N
XLogP1.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
(5-ethyl-1H-pyrazol-3-yl)-[(4S)-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]azepan-1-yl]methanone
CID 129338021
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 78875827
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 129474789
2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870643
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone (CID 78873940) is [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone is CCc1cc(C(=O)N2CCC(N(C)C)CC2)n[nH]1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is GSXNEMSWIGYTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10-9-12(15-14-10)13(18)17-7-5-11(6-8-17)16(2)3/h9,11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 78873940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).