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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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
CID 83009773
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 82107835
N-[(2-methylpropan-2-yl)oxy]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 82719907
(1R)-1-cycloheptyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]ethanamine
CID 81391838
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
1-methoxy-3-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-2-amine
CID 65047775
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633

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).