N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C15H29N5 — CID 63634287

IUPACN-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(CC)C(C)C1
InChIInChI=1S/C15H29N5/c1-6-16-10-14-13(4)17-18(5)15(14)20-9-8-19(7-2)12(3)11-20/h12,16H,6-11H2,1-5H3
InChIKeyMTAGWYUSMIZFFB-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.37
Rot. Bonds5

About N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 63634287) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID63634287
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1CCN(CC)C(C)C1
InChIInChI=1S/C15H29N5/c1-6-16-10-14-13(4)17-18(5)15(14)20-9-8-19(7-2)12(3)11-20/h12,16H,6-11H2,1-5H3
InChIKeyMTAGWYUSMIZFFB-UHFFFAOYSA-N
XLogP1.37
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 63634287) is N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1N1CCN(CC)C(C)C1.
What is the InChIKey of N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is MTAGWYUSMIZFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-16-10-14-13(4)17-18(5)15(14)20-9-8-19(7-2)12(3)11-20/h12,16H,6-11H2,1-5H3.
What are the key properties of N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 63634287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).