[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C22H24N4O2 — CID 9069026

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-11-7-6-10-20(21)24-12-14-25(15-13-24)22(27)18-16-23-26(17-18)19-8-4-3-5-9-19/h3-11,16-17H,2,12-15H2,1H3
InChIKeyGJBJAZZUJRHRGJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.23
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 9069026) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID9069026
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-11-7-6-10-20(21)24-12-14-25(15-13-24)22(27)18-16-23-26(17-18)19-8-4-3-5-9-19/h3-11,16-17H,2,12-15H2,1H3
InChIKeyGJBJAZZUJRHRGJ-UHFFFAOYSA-N
XLogP3.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 34361675
5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(1-methylpyrazol-4-yl)pyridin-2-one
CID 139003459
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 9069026) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is GJBJAZZUJRHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-28-21-11-7-6-10-20(21)24-12-14-25(15-13-24)22(27)18-16-23-26(17-18)19-8-4-3-5-9-19/h3-11,16-17H,2,12-15H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 9069026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).