(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

C17H22N4O2 — CID 71877262

IUPAC(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCN(C)CC3C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-13-12-19(2)10-11-20(13)17(22)16-8-9-21(18-16)14-4-6-15(23-3)7-5-14/h4-9,13H,10-12H2,1-3H3
InChIKeyXSAQUVBXEODLTH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.66
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (PubChem CID 71877262) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
PubChem CID71877262
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CCN(C)CC3C)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-13-12-19(2)10-11-20(13)17(22)16-8-9-21(18-16)14-4-6-15(23-3)7-5-14/h4-9,13H,10-12H2,1-3H3
InChIKeyXSAQUVBXEODLTH-UHFFFAOYSA-N
XLogP1.66
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone (CID 71877262) is (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CCN(C)CC3C)n2)cc1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
The InChIKey is XSAQUVBXEODLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-12-19(2)10-11-20(13)17(22)16-8-9-21(18-16)14-4-6-15(23-3)7-5-14/h4-9,13H,10-12H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 71877262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).