(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

C12H20N4O — CID 66127573

IUPAC(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C(C)CNCC2C)n(C)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(15(4)14-8)12(17)16-9(2)6-13-7-10(16)3/h5,9-10,13H,6-7H2,1-4H3
InChIKeyIKFBAIXRJADTNE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 66127573) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID66127573
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C(C)CNCC2C)n(C)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(15(4)14-8)12(17)16-9(2)6-13-7-10(16)3/h5,9-10,13H,6-7H2,1-4H3
InChIKeyIKFBAIXRJADTNE-UHFFFAOYSA-N
XLogP0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 66127573) is (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2C(C)CNCC2C)n(C)n1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is IKFBAIXRJADTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-11(15(4)14-8)12(17)16-9(2)6-13-7-10(16)3/h5,9-10,13H,6-7H2,1-4H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 66127573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).