1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

C19H26N4O2 — CID 70765687

IUPAC1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nccc2C)CC1(C)C
InChIInChI=1S/C19H26N4O2/c1-15-9-10-20-23(15)13-18(24)21-11-12-22(19(2,3)14-21)16-7-5-6-8-17(16)25-4/h5-10H,11-14H2,1-4H3
InChIKeyMCOXILHGFJPZOK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone

1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (PubChem CID 70765687) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
PubChem CID70765687
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nccc2C)CC1(C)C
InChIInChI=1S/C19H26N4O2/c1-15-9-10-20-23(15)13-18(24)21-11-12-22(19(2,3)14-21)16-7-5-6-8-17(16)25-4/h5-10H,11-14H2,1-4H3
InChIKeyMCOXILHGFJPZOK-UHFFFAOYSA-N
XLogP2.33
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-methoxyaniline
CID 703663
4-[2-(3,5-Dimethyl-pyrazol-1-yl)-2-oxo-ethyl]-4H-benzo[1,4]oxazin-3-one
CID 653451
1-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 1129747
1-Isopropyl-1H-pyrazole-4-carboxylic acid cyclopentylcarbamoylmethyl-(2-methoxy-phenyl)-amide
CID 1445243
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8239952
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrazol-3-ylmethyl}-piperidin-2-one
CID 44316072
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-2-methyl-2H-pyrazol-3-ylmethyl}-piperidin-2-one
CID 44316098

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone (CID 70765687) is 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is COc1ccccc1N1CCN(C(=O)Cn2nccc2C)CC1(C)C.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
The InChIKey is MCOXILHGFJPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-9-10-20-23(15)13-18(24)21-11-12-22(19(2,3)14-21)16-7-5-6-8-17(16)25-4/h5-10H,11-14H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone?
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70765687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).