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

C16H22N4 — CID 81471476

IUPAC3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
SMILESCC1CN(C(C)c2cnn(-c3ccccc3)c2)CCN1
InChIInChI=1S/C16H22N4/c1-13-11-19(9-8-17-13)14(2)15-10-18-20(12-15)16-6-4-3-5-7-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3
InChIKeyOXZFWRJZOPXLTQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.23
Rot. Bonds3

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

3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine (PubChem CID 81471476) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
PubChem CID81471476
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
SMILESCC1CN(C(C)c2cnn(-c3ccccc3)c2)CCN1
InChIInChI=1S/C16H22N4/c1-13-11-19(9-8-17-13)14(2)15-10-18-20(12-15)16-6-4-3-5-7-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3
InChIKeyOXZFWRJZOPXLTQ-UHFFFAOYSA-N
XLogP2.23
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine (CID 81471476) is 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine is CC1CN(C(C)c2cnn(-c3ccccc3)c2)CCN1.
What is the InChIKey of 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The InChIKey is OXZFWRJZOPXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-11-19(9-8-17-13)14(2)15-10-18-20(12-15)16-6-4-3-5-7-16/h3-7,10,12-14,17H,8-9,11H2,1-2H3.
What are the key properties of 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 81471476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).