[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone

C23H26N4O2 — CID 166360657

IUPAC[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C(CCO)C1
InChIInChI=1S/C23H26N4O2/c1-25-13-14-26(21(17-25)11-15-28)23(29)19-8-5-9-20(16-19)27-22(10-12-24-27)18-6-3-2-4-7-18/h2-10,12,16,21,28H,11,13-15,17H2,1H3
InChIKeyHUBDDWXVJZIBCY-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.68
Rot. Bonds5

About [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone

[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone (PubChem CID 166360657) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
PubChem CID166360657
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C(CCO)C1
InChIInChI=1S/C23H26N4O2/c1-25-13-14-26(21(17-25)11-15-28)23(29)19-8-5-9-20(16-19)27-22(10-12-24-27)18-6-3-2-4-7-18/h2-10,12,16,21,28H,11,13-15,17H2,1H3
InChIKeyHUBDDWXVJZIBCY-UHFFFAOYSA-N
XLogP2.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone (CID 166360657) is [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone is CN1CCN(C(=O)c2cccc(-n3nccc3-c3ccccc3)c2)C(CCO)C1.
What is the InChIKey of [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
The InChIKey is HUBDDWXVJZIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-25-13-14-26(21(17-25)11-15-28)23(29)19-8-5-9-20(16-19)27-22(10-12-24-27)18-6-3-2-4-7-18/h2-10,12,16,21,28H,11,13-15,17H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone?
[2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[3-(5-phenylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 166360657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).