1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

C20H28N4O2 — CID 90506459

IUPAC1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)17-5-7-18(8-6-17)26-13-19(25)23-9-11-24(12-10-23)20-15(3)21-22-16(20)4/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeySHEPXJLVVSNHJD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds5

About 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone (PubChem CID 90506459) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
PubChem CID90506459
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)17-5-7-18(8-6-17)26-13-19(25)23-9-11-24(12-10-23)20-15(3)21-22-16(20)4/h5-8,14H,9-13H2,1-4H3,(H,21,22)
InChIKeySHEPXJLVVSNHJD-UHFFFAOYSA-N
XLogP2.88
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90506464
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506507
2-(4-propan-2-ylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 27809887
2-[[4-[2-(4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135956158
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 43982800
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
CID 66082939
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506378
4-[4-[2-(4-propan-2-ylphenoxy)acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55716173
1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90561095

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone (CID 90506459) is 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone is Cc1n[nH]c(C)c1N1CCN(C(=O)COc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
The InChIKey is SHEPXJLVVSNHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)17-5-7-18(8-6-17)26-13-19(25)23-9-11-24(12-10-23)20-15(3)21-22-16(20)4/h5-8,14H,9-13H2,1-4H3,(H,21,22).
What are the key properties of 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone?
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 90506459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).