3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine

C11H20N4 — CID 54592623

IUPAC3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1CN(CCn2cccn2)CCN1
InChIInChI=1S/C11H20N4/c1-2-11-10-14(7-5-12-11)8-9-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3
InChIKeyKVAZXZSOLFWVRB-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.57
Rot. Bonds4

About 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine

3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine (PubChem CID 54592623) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
PubChem CID54592623
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine
SMILESCCC1CN(CCn2cccn2)CCN1
InChIInChI=1S/C11H20N4/c1-2-11-10-14(7-5-12-11)8-9-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3
InChIKeyKVAZXZSOLFWVRB-UHFFFAOYSA-N
XLogP0.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(1H-pyrazol-1-yl)propan-2-amine
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4-(1H-Pyrazol-1-yl)piperidine
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3-(1H-pyrazol-1-yl)piperidine
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3-(4-methyl-1H-pyrazol-1-yl)piperidine
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CID 25220770
4-(1H-pyrazol-1-yl)piperidine hydrochloride
CID 56766486
4-(1H-pyrazol-1-ylmethyl)piperidine
CID 28063741
2-(1H-pyrazol-1-ylmethyl)piperidine
CID 54592627
N-methyl-1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-amine
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2-(1H-pyrazol-1-yl)cyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The IUPAC name of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine (CID 54592623) is 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The canonical SMILES for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine is CCC1CN(CCn2cccn2)CCN1.
What is the InChIKey of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
The InChIKey is KVAZXZSOLFWVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-11-10-14(7-5-12-11)8-9-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3.
What are the key properties of 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine?
3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine is sourced from PubChem (CID 54592623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).