3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine

C10H18N4 — CID 64925442

IUPAC3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(N2CCNC(C)(C)C2)cn1
InChIInChI=1S/C10H18N4/c1-10(2)8-14(5-4-11-10)9-6-12-13(3)7-9/h6-7,11H,4-5,8H2,1-3H3
InChIKeyXLDXSXLFYSZLQQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine

3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine (PubChem CID 64925442) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine
PubChem CID64925442
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine
SMILESCn1cc(N2CCNC(C)(C)C2)cn1
InChIInChI=1S/C10H18N4/c1-10(2)8-14(5-4-11-10)9-6-12-13(3)7-9/h6-7,11H,4-5,8H2,1-3H3
InChIKeyXLDXSXLFYSZLQQ-UHFFFAOYSA-N
XLogP0.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine (CID 64925442) is 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine is Cn1cc(N2CCNC(C)(C)C2)cn1.
What is the InChIKey of 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine?
The InChIKey is XLDXSXLFYSZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2)8-14(5-4-11-10)9-6-12-13(3)7-9/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine?
3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-methylpyrazol-4-yl)piperazine is sourced from PubChem (CID 64925442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).