2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

C19H27N5O2 — CID 90653270

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCCC2CCn2cccn2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-19(16(3)25)15(2)24(21-14)13-18(26)23-11-5-4-7-17(23)8-12-22-10-6-9-20-22/h6,9-10,17H,4-5,7-8,11-13H2,1-3H3
InChIKeyZWTDXEJTQXPXKX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.37
Rot. Bonds6

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 90653270) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID90653270
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
SMILESCC(=O)c1c(C)nn(CC(=O)N2CCCCC2CCn2cccn2)c1C
InChIInChI=1S/C19H27N5O2/c1-14-19(16(3)25)15(2)24(21-14)13-18(26)23-11-5-4-7-17(23)8-12-22-10-6-9-20-22/h6,9-10,17H,4-5,7-8,11-13H2,1-3H3
InChIKeyZWTDXEJTQXPXKX-UHFFFAOYSA-N
XLogP2.37
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(3-Pyrazol-1-ylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 53551260
(5-Cyclopropyl-1-methylpyrazol-4-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53554201
1-(3-Pyrazol-1-ylpiperidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 53561981
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
CID 70716262
Pyrazol-1-yl-(2,4,5-trimethylpyrazol-3-yl)methanone
CID 139236856
[(2S)-2-(1-methylpyrazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 124740135
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(triazol-1-yl)piperidin-1-yl]methanone
CID 164639164
N,2,5-trimethyl-N-[(3S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 164640003
1-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carbonyl chloride
CID 140129126
1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-1-one
CID 4773025
[4-[(1,3-Dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19279482

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone (CID 90653270) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is CC(=O)c1c(C)nn(CC(=O)N2CCCCC2CCn2cccn2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is ZWTDXEJTQXPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-19(16(3)25)15(2)24(21-14)13-18(26)23-11-5-4-7-17(23)8-12-22-10-6-9-20-22/h6,9-10,17H,4-5,7-8,11-13H2,1-3H3.
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 357.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 90653270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).