[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

C17H22N4OS — CID 70780432

IUPAC[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cccnc2SC)C1
InChIInChI=1S/C17H22N4OS/c1-3-12-10-19-20-15(12)13-6-5-9-21(11-13)17(22)14-7-4-8-18-16(14)23-2/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3,(H,19,20)
InChIKeyDSUPTZKXVZYBDN-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.11
Rot. Bonds4

About [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 70780432) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID70780432
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cccnc2SC)C1
InChIInChI=1S/C17H22N4OS/c1-3-12-10-19-20-15(12)13-6-5-9-21(11-13)17(22)14-7-4-8-18-16(14)23-2/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3,(H,19,20)
InChIKeyDSUPTZKXVZYBDN-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
5-(4-cyclohexyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-1H-pyrazole-3-carboxamide
CID 46889216
3-{4-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidine-1-carbonyl}pyridine
CID 53185326
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(methylthio)nicotinamide
CID 24793849
N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]nicotinohydrazide
CID 135476831
6-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylsulfanyl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 46897736
N-(6-methylsulfanylhexyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 127029268
{3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidino}(4-pyridyl)methanone
CID 53185297
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53185298
1-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 53548485
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-6-ethylsulfanylpyridine-3-carboxamide
CID 53619650
N-methyl-N-(1-methyl-2-pyridin-2-ylethyl)-2-(methylthio)nicotinamide
CID 56749566

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 70780432) is [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is CCc1cn[nH]c1C1CCCN(C(=O)c2cccnc2SC)C1.
What is the InChIKey of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is DSUPTZKXVZYBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-12-10-19-20-15(12)13-6-5-9-21(11-13)17(22)14-7-4-8-18-16(14)23-2/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3,(H,19,20).
What are the key properties of [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 330.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 70780432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).