2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone

C18H24N4O2 — CID 75496879

IUPAC2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cn[nH]c2-c2cccc(C)c2)CC1
InChIInChI=1S/C18H24N4O2/c1-14-4-3-5-15(10-14)18-16(11-19-20-18)12-21-6-8-22(9-7-21)17(23)13-24-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,19,20)
InChIKeySZEGVECQANKNQR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.68
Rot. Bonds5

About 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 75496879) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID75496879
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cn[nH]c2-c2cccc(C)c2)CC1
InChIInChI=1S/C18H24N4O2/c1-14-4-3-5-15(10-14)18-16(11-19-20-18)12-21-6-8-22(9-7-21)17(23)13-24-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,19,20)
InChIKeySZEGVECQANKNQR-UHFFFAOYSA-N
XLogP1.68
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
2-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908077
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 110882554
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1,4-diazepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 138809243
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24793141
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
2-methoxy-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 108547620
4-[[(3S)-1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]morpholine
CID 126812568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 75496879) is 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(Cc2cn[nH]c2-c2cccc(C)c2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is SZEGVECQANKNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14-4-3-5-15(10-14)18-16(11-19-20-18)12-21-6-8-22(9-7-21)17(23)13-24-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 75496879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).