1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine

C16H22N4 — CID 117210560

IUPAC1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
SMILESCCc1c(N2CCNCC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H22N4/c1-3-15-16(19-10-8-17-9-11-19)12-18-20(15)14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyVYWXIXITISUYMJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.15
Rot. Bonds3

About 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine

1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine (PubChem CID 117210560) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
PubChem CID117210560
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine
SMILESCCc1c(N2CCNCC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C16H22N4/c1-3-15-16(19-10-8-17-9-11-19)12-18-20(15)14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyVYWXIXITISUYMJ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine (CID 117210560) is 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine is CCc1c(N2CCNCC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine?
The InChIKey is VYWXIXITISUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-15-16(19-10-8-17-9-11-19)12-18-20(15)14-6-4-13(2)5-7-14/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine?
1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]piperazine is sourced from PubChem (CID 117210560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).