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

C20H28N4O2 — CID 70769340

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)cc2C)CC1(C)C
InChIInChI=1S/C20H28N4O2/c1-15-12-16(2)24(21-15)13-19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12H,10-11,13-14H2,1-5H3
InChIKeyPCTJRUUUIJCJBO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.64
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone (PubChem CID 70769340) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone
PubChem CID70769340
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(C)cc2C)CC1(C)C
InChIInChI=1S/C20H28N4O2/c1-15-12-16(2)24(21-15)13-19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12H,10-11,13-14H2,1-5H3
InChIKeyPCTJRUUUIJCJBO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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
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-(4-methoxyphenyl)-1,3,5-trimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-sulfonamide
CID 5307985
N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(2-methoxyphenyl)-1-piperazinamine
CID 5727548
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
1-(2-Methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885279
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(3-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 21071083
N,N'-bis(2-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 1098161
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
CID 5308486

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone (CID 70769340) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2nc(C)cc2C)CC1(C)C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone?
The InChIKey is PCTJRUUUIJCJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-12-16(2)24(21-15)13-19(25)22-10-11-23(20(3,4)14-22)17-8-6-7-9-18(17)26-5/h6-9,12H,10-11,13-14H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 70769340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).