2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

C13H25N5 — CID 83088829

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2cn(C)nc2C)CC1
InChIInChI=1S/C13H25N5/c1-4-17-5-7-18(8-6-17)13(9-14)12-10-16(3)15-11(12)2/h10,13H,4-9,14H2,1-3H3
InChIKeyJVSBGWAUWLMHKA-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.37
Rot. Bonds4

About 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 83088829) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID83088829
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2cn(C)nc2C)CC1
InChIInChI=1S/C13H25N5/c1-4-17-5-7-18(8-6-17)13(9-14)12-10-16(3)15-11(12)2/h10,13H,4-9,14H2,1-3H3
InChIKeyJVSBGWAUWLMHKA-UHFFFAOYSA-N
XLogP0.37
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 83088829) is 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2cn(C)nc2C)CC1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is JVSBGWAUWLMHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-17-5-7-18(8-6-17)13(9-14)12-10-16(3)15-11(12)2/h10,13H,4-9,14H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83088829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).