(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

C12H20N4O — CID 103807450

IUPAC(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C12H20N4O/c1-9-10(7-15(4)14-9)11(17)16-6-5-13-8-12(16,2)3/h7,13H,5-6,8H2,1-4H3
InChIKeyVWXKEGJLVWUMBH-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 103807450) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID103807450
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C12H20N4O/c1-9-10(7-15(4)14-9)11(17)16-6-5-13-8-12(16,2)3/h7,13H,5-6,8H2,1-4H3
InChIKeyVWXKEGJLVWUMBH-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 (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 103807450) is (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)N1CCNCC1(C)C.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is VWXKEGJLVWUMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-10(7-15(4)14-9)11(17)16-6-5-13-8-12(16,2)3/h7,13H,5-6,8H2,1-4H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-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 (2,2-dimethylpiperazin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 103807450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).