2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine

C9H16N4 — CID 139344007

IUPAC2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine
SMILESCc1[nH]ncc1C1CNCC(C)N1
InChIInChI=1S/C9H16N4/c1-6-3-10-5-9(12-6)8-4-11-13-7(8)2/h4,6,9-10,12H,3,5H2,1-2H3,(H,11,13)
InChIKeyLSTKFEWMIPMEND-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.34
Rot. Bonds1

About 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine

2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine (PubChem CID 139344007) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine.

Molecular Properties

Compound Name2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine
PubChem CID139344007
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine
SMILESCc1[nH]ncc1C1CNCC(C)N1
InChIInChI=1S/C9H16N4/c1-6-3-10-5-9(12-6)8-4-11-13-7(8)2/h4,6,9-10,12H,3,5H2,1-2H3,(H,11,13)
InChIKeyLSTKFEWMIPMEND-UHFFFAOYSA-N
XLogP0.34
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine?
The IUPAC name of 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine (CID 139344007) is 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine.
What is the SMILES notation for 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine?
The canonical SMILES for 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine is Cc1[nH]ncc1C1CNCC(C)N1.
What is the InChIKey of 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine?
The InChIKey is LSTKFEWMIPMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-3-10-5-9(12-6)8-4-11-13-7(8)2/h4,6,9-10,12H,3,5H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine?
2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazine is sourced from PubChem (CID 139344007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).