[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C23H26N4O2 — CID 51046466

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-3-29-22-7-5-4-6-21(22)26-12-14-27(15-13-26)23(28)20-16-19(24-25-20)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,24,25)
InChIKeyQSGAGWRLGJUXCT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.75
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 51046466) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID51046466
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-3-29-22-7-5-4-6-21(22)26-12-14-27(15-13-26)23(28)20-16-19(24-25-20)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,24,25)
InChIKeyQSGAGWRLGJUXCT-UHFFFAOYSA-N
XLogP3.75
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 46856952
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 20906534
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 3651185
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146045778
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[3-(4-fluoro-3-methylphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110300151
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20906489
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
azepan-1-yl-[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20918147

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 51046466) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is QSGAGWRLGJUXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-29-22-7-5-4-6-21(22)26-12-14-27(15-13-26)23(28)20-16-19(24-25-20)18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,24,25).
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 51046466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).