1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone

C20H28N4O2 — CID 90508842

IUPAC1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCN(CCn3nc(C)cc3C)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-16-13-17(2)24(21-16)12-9-22-7-10-23(11-8-22)20(25)15-18-5-4-6-19(14-18)26-3/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyMUZNZVRWOMJSPH-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.90
Rot. Bonds6

About 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone

1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 90508842) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID90508842
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCN(CCn3nc(C)cc3C)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-16-13-17(2)24(21-16)12-9-22-7-10-23(11-8-22)20(25)15-18-5-4-6-19(14-18)26-3/h4-6,13-14H,7-12,15H2,1-3H3
InChIKeyMUZNZVRWOMJSPH-UHFFFAOYSA-N
XLogP1.90
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
CID 56822423
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 90508768
1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 31717507
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 90508842) is 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCN(CCn3nc(C)cc3C)CC2)c1.
What is the InChIKey of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is MUZNZVRWOMJSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-16-13-17(2)24(21-16)12-9-22-7-10-23(11-8-22)20(25)15-18-5-4-6-19(14-18)26-3/h4-6,13-14H,7-12,15H2,1-3H3.
What are the key properties of 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 90508842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).