(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone

C18H24N4O2 — CID 71877392

IUPAC(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20)
InChIKeyBILGNGDYNYFOMI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.25
Rot. Bonds4

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

(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 71877392) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID71877392
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20)
InChIKeyBILGNGDYNYFOMI-UHFFFAOYSA-N
XLogP2.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 71877392) is (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is CCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2C)[nH]n1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is BILGNGDYNYFOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-24-17-8-6-5-7-14(17)15-11-16(20-19-15)18(23)22-10-9-21(3)12-13(22)2/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,19,20).
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[3-(2-ethoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 71877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).