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

C11H20N4 — CID 64834001

IUPAC3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C11H20N4/c1-3-11-9-15(5-4-12-11)8-10-6-13-14(2)7-10/h6-7,11-12H,3-5,8-9H2,1-2H3
InChIKeyOGHRMWOJFMXBBE-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.60
Rot. Bonds3

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

3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 64834001) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID64834001
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCCC1CN(Cc2cnn(C)c2)CCN1
InChIInChI=1S/C11H20N4/c1-3-11-9-15(5-4-12-11)8-10-6-13-14(2)7-10/h6-7,11-12H,3-5,8-9H2,1-2H3
InChIKeyOGHRMWOJFMXBBE-UHFFFAOYSA-N
XLogP0.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 64834001) is 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is CCC1CN(Cc2cnn(C)c2)CCN1.
What is the InChIKey of 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is OGHRMWOJFMXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-11-9-15(5-4-12-11)8-10-6-13-14(2)7-10/h6-7,11-12H,3-5,8-9H2,1-2H3.
What are the key properties of 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine?
3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 208.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 64834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).