1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine

C11H20N4 — CID 53407647

IUPAC1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine
SMILESCc1n[nH]c(C)c1C(C)N1CCNCC1
InChIInChI=1S/C11H20N4/c1-8-11(9(2)14-13-8)10(3)15-6-4-12-5-7-15/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZXXAHLHWNDKFDF-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.99
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine

1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine (PubChem CID 53407647) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine
PubChem CID53407647
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine
SMILESCc1n[nH]c(C)c1C(C)N1CCNCC1
InChIInChI=1S/C11H20N4/c1-8-11(9(2)14-13-8)10(3)15-6-4-12-5-7-15/h10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyZXXAHLHWNDKFDF-UHFFFAOYSA-N
XLogP0.99
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine (CID 53407647) is 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine is Cc1n[nH]c(C)c1C(C)N1CCNCC1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine?
The InChIKey is ZXXAHLHWNDKFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-11(9(2)14-13-8)10(3)15-6-4-12-5-7-15/h10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine?
1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 53407647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).