1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

C20H28N4O2 — CID 70727525

IUPAC1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)c(C)c2C)C(C)C1
InChIInChI=1S/C20H28N4O2/c1-14-12-22(18-8-6-7-9-19(18)26-5)10-11-23(14)20(25)13-24-17(4)15(2)16(3)21-24/h6-9,14H,10-13H2,1-5H3
InChIKeyDEGXPCRKTBYEHG-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone

1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 70727525) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID70727525
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)c(C)c2C)C(C)C1
InChIInChI=1S/C20H28N4O2/c1-14-12-22(18-8-6-7-9-19(18)26-5)10-11-23(14)20(25)13-24-17(4)15(2)16(3)21-24/h6-9,14H,10-13H2,1-5H3
InChIKeyDEGXPCRKTBYEHG-UHFFFAOYSA-N
XLogP2.55
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-methoxyaniline
CID 703663
1-[1-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-3-(4-iodo-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 10167901
(3S)-3-(2-benzyl-3-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308913
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
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
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666
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
3-Ethyl-1-(4-fluorophenyl)-6-(2-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10690189
1-(2-Ethoxyphenyl)-3-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-YL)ethyl]-3-methylurea
CID 16028542

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 70727525) is 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is COc1ccccc1N1CCN(C(=O)Cn2nc(C)c(C)c2C)C(C)C1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is DEGXPCRKTBYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-12-22(18-8-6-7-9-19(18)26-5)10-11-23(14)20(25)13-24-17(4)15(2)16(3)21-24/h6-9,14H,10-13H2,1-5H3.
What are the key properties of 1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
1-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.55, 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)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70727525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).