2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine

C10H18N4 — CID 112545717

IUPAC2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine
SMILESCn1nccc1C1CNCC(C)(C)N1
InChIInChI=1S/C10H18N4/c1-10(2)7-11-6-8(13-10)9-4-5-12-14(9)3/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyISNBAYBSBNWNQV-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.43
Rot. Bonds1

About 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine

2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine (PubChem CID 112545717) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine
PubChem CID112545717
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine
SMILESCn1nccc1C1CNCC(C)(C)N1
InChIInChI=1S/C10H18N4/c1-10(2)7-11-6-8(13-10)9-4-5-12-14(9)3/h4-5,8,11,13H,6-7H2,1-3H3
InChIKeyISNBAYBSBNWNQV-UHFFFAOYSA-N
XLogP0.43
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine?
The IUPAC name of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine (CID 112545717) is 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine is Cn1nccc1C1CNCC(C)(C)N1.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine?
The InChIKey is ISNBAYBSBNWNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2)7-11-6-8(13-10)9-4-5-12-14(9)3/h4-5,8,11,13H,6-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine?
2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine is sourced from PubChem (CID 112545717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).