4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine

C13H25N5 — CID 83010272

IUPAC4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
SMILESCc1nn(C)c(C)c1C(C)NN1CCN(C)CC1
InChIInChI=1S/C13H25N5/c1-10-13(12(3)17(5)14-10)11(2)15-18-8-6-16(4)7-9-18/h11,15H,6-9H2,1-5H3
InChIKeyQKIXNRUEBPYBFI-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.85
Rot. Bonds3

About 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine

4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine (PubChem CID 83010272) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
PubChem CID83010272
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine
SMILESCc1nn(C)c(C)c1C(C)NN1CCN(C)CC1
InChIInChI=1S/C13H25N5/c1-10-13(12(3)17(5)14-10)11(2)15-18-8-6-16(4)7-9-18/h11,15H,6-9H2,1-5H3
InChIKeyQKIXNRUEBPYBFI-UHFFFAOYSA-N
XLogP0.85
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine (CID 83010272) is 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine is Cc1nn(C)c(C)c1C(C)NN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine?
The InChIKey is QKIXNRUEBPYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-13(12(3)17(5)14-10)11(2)15-18-8-6-16(4)7-9-18/h11,15H,6-9H2,1-5H3.
What are the key properties of 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine?
4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine has a molecular weight of 251.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazin-1-amine is sourced from PubChem (CID 83010272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).