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

C20H28N4O2 — CID 70712632

IUPAC1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nc(C)c(C)c3C)C(C)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14-12-22(18-6-8-19(26-5)9-7-18)10-11-23(14)20(25)13-24-17(4)15(2)16(3)21-24/h6-9,14H,10-13H2,1-5H3
InChIKeyIUTZVZQCMMEMAF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.55
Rot. Bonds4

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

1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 70712632) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID70712632
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3nc(C)c(C)c3C)C(C)C2)cc1
InChIInChI=1S/C20H28N4O2/c1-14-12-22(18-6-8-19(26-5)9-7-18)10-11-23(14)20(25)13-24-17(4)15(2)16(3)21-24/h6-9,14H,10-13H2,1-5H3
InChIKeyIUTZVZQCMMEMAF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 1000608
2-(4-ethoxyphenyl)-3,4-dimethyl-6-[2-(1-piperidinyl)ethyl]-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 990460
1-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 1129747
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
CID 5307985
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5308136
Ethyl 1-{2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetyl}piperidine-4-carboxylate
CID 5309159
N-benzyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 9551359
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
N-(4-ethoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026211
N-(4-methoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16034524

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 70712632) is 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is COc1ccc(N2CCN(C(=O)Cn3nc(C)c(C)c3C)C(C)C2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is IUTZVZQCMMEMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-12-22(18-6-8-19(26-5)9-7-18)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-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone?
1-[4-(4-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-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 70712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).