1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine

C9H16N4 — CID 130659142

IUPAC1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(C)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-8-7-9(11-10-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIWVJKDGTGWAKII-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.47
Rot. Bonds1

About 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine

1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine (PubChem CID 130659142) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine
PubChem CID130659142
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(C)CC2)n[nH]1
InChIInChI=1S/C9H16N4/c1-8-7-9(11-10-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyIWVJKDGTGWAKII-UHFFFAOYSA-N
XLogP0.47
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine (CID 130659142) is 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine is Cc1cc(N2CCN(C)CC2)n[nH]1.
What is the InChIKey of 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is IWVJKDGTGWAKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8-7-9(11-10-8)13-5-3-12(2)4-6-13/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 130659142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).