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

C9H16N4 — CID 63977177

IUPAC1-(2-ethylpyrazol-3-yl)piperazine
SMILESCCn1nccc1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-2-13-9(3-4-11-13)12-7-5-10-6-8-12/h3-4,10H,2,5-8H2,1H3
InChIKeyKCWQVCYTCODXEF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.31
Rot. Bonds2

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

1-(2-ethylpyrazol-3-yl)piperazine (PubChem CID 63977177) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)piperazine
PubChem CID63977177
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(2-ethylpyrazol-3-yl)piperazine
SMILESCCn1nccc1N1CCNCC1
InChIInChI=1S/C9H16N4/c1-2-13-9(3-4-11-13)12-7-5-10-6-8-12/h3-4,10H,2,5-8H2,1H3
InChIKeyKCWQVCYTCODXEF-UHFFFAOYSA-N
XLogP0.31
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)piperazine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)piperazine (CID 63977177) is 1-(2-ethylpyrazol-3-yl)piperazine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)piperazine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)piperazine is CCn1nccc1N1CCNCC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)piperazine?
The InChIKey is KCWQVCYTCODXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-13-9(3-4-11-13)12-7-5-10-6-8-12/h3-4,10H,2,5-8H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)piperazine?
1-(2-ethylpyrazol-3-yl)piperazine has a molecular weight of 180.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)piperazine is sourced from PubChem (CID 63977177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).