(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone

C11H18N4O — CID 71877168

IUPAC(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-9-7-13(2)4-5-15(9)11(16)10-6-12-14(3)8-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyLJWKWLWQURNTSF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.20
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 71877168) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID71877168
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCC1CN(C)CCN1C(=O)c1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-9-7-13(2)4-5-15(9)11(16)10-6-12-14(3)8-10/h6,8-9H,4-5,7H2,1-3H3
InChIKeyLJWKWLWQURNTSF-UHFFFAOYSA-N
XLogP0.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone (CID 71877168) is (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone is CC1CN(C)CCN1C(=O)c1cnn(C)c1.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is LJWKWLWQURNTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-7-13(2)4-5-15(9)11(16)10-6-12-14(3)8-10/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 71877168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).