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

C8H14N4 — CID 62548256

IUPAC1-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-7-6-8(11-10-7)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyMEWCPBOFWYJTNM-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.13
Rot. Bonds1

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

1-(5-methyl-1H-pyrazol-3-yl)piperazine (PubChem CID 62548256) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)piperazine
PubChem CID62548256
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-7-6-8(11-10-7)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,11)
InChIKeyMEWCPBOFWYJTNM-UHFFFAOYSA-N
XLogP0.13
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-3-yl)piperazine (CID 62548256) is 1-(5-methyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-3-yl)piperazine is Cc1cc(N2CCNCC2)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is MEWCPBOFWYJTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-6-8(11-10-7)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,11).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)piperazine?
1-(5-methyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 166.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 62548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).