1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine

C11H19ClN4 — CID 54592619

IUPAC1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H19ClN4/c1-3-10-9(11(12)15(2)14-10)8-16-6-4-13-5-7-16/h13H,3-8H2,1-2H3
InChIKeyABIXOWLPIOOLAA-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.04
Rot. Bonds3

About 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine

1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 54592619) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID54592619
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCNCC1
InChIInChI=1S/C11H19ClN4/c1-3-10-9(11(12)15(2)14-10)8-16-6-4-13-5-7-16/h13H,3-8H2,1-2H3
InChIKeyABIXOWLPIOOLAA-UHFFFAOYSA-N
XLogP1.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine (CID 54592619) is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine is CCc1nn(C)c(Cl)c1CN1CCNCC1.
What is the InChIKey of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is ABIXOWLPIOOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-3-10-9(11(12)15(2)14-10)8-16-6-4-13-5-7-16/h13H,3-8H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine?
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 242.75 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 54592619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).