2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

C19H26N4O — CID 91784473

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCC(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-4-18-14(2)21-23(15(18)3)13-19(24)22-11-7-17(8-12-22)16-5-9-20-10-6-16/h5-6,9-10,17H,4,7-8,11-13H2,1-3H3
InChIKeyYZJUCOFABXIEPT-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.86
Rot. Bonds4

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (PubChem CID 91784473) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
PubChem CID91784473
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCC(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-4-18-14(2)21-23(15(18)3)13-19(24)22-11-7-17(8-12-22)16-5-9-20-10-6-16/h5-6,9-10,17H,4,7-8,11-13H2,1-3H3
InChIKeyYZJUCOFABXIEPT-UHFFFAOYSA-N
XLogP2.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-methylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 86284234
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]ethanone
CID 97110252
2-[5-[(3S)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434624
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 124750043
(5R)-5-ethyl-5-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95209324
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 154836877
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 126448053
2-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 16674895
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone (CID 91784473) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone is CCc1c(C)nn(CC(=O)N2CCC(c3ccncc3)CC2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is YZJUCOFABXIEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-18-14(2)21-23(15(18)3)13-19(24)22-11-7-17(8-12-22)16-5-9-20-10-6-16/h5-6,9-10,17H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 326.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 91784473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).