1-(1-ethylpyrazol-3-yl)-2-methylpiperazine

C10H18N4 — CID 130495987

IUPAC1-(1-ethylpyrazol-3-yl)-2-methylpiperazine
SMILESCCn1ccc(N2CCNCC2C)n1
InChIInChI=1S/C10H18N4/c1-3-13-6-4-10(12-13)14-7-5-11-8-9(14)2/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyHSNYJBHLEZEFSK-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.70
Rot. Bonds2

About 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine

1-(1-ethylpyrazol-3-yl)-2-methylpiperazine (PubChem CID 130495987) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-2-methylpiperazine
PubChem CID130495987
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-(1-ethylpyrazol-3-yl)-2-methylpiperazine
SMILESCCn1ccc(N2CCNCC2C)n1
InChIInChI=1S/C10H18N4/c1-3-13-6-4-10(12-13)14-7-5-11-8-9(14)2/h4,6,9,11H,3,5,7-8H2,1-2H3
InChIKeyHSNYJBHLEZEFSK-UHFFFAOYSA-N
XLogP0.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine (CID 130495987) is 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine is CCn1ccc(N2CCNCC2C)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine?
The InChIKey is HSNYJBHLEZEFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-13-6-4-10(12-13)14-7-5-11-8-9(14)2/h4,6,9,11H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine?
1-(1-ethylpyrazol-3-yl)-2-methylpiperazine has a molecular weight of 194.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-2-methylpiperazine is sourced from PubChem (CID 130495987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).