2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine

C12H23N3 — CID 83045319

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine
SMILESCCCC(CNCC)n1nc(C)cc1C
InChIInChI=1S/C12H23N3/c1-5-7-12(9-13-6-2)15-11(4)8-10(3)14-15/h8,12-13H,5-7,9H2,1-4H3
InChIKeyTYXCVFWIDODFNQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.45
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine

2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine (PubChem CID 83045319) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine
PubChem CID83045319
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine
SMILESCCCC(CNCC)n1nc(C)cc1C
InChIInChI=1S/C12H23N3/c1-5-7-12(9-13-6-2)15-11(4)8-10(3)14-15/h8,12-13H,5-7,9H2,1-4H3
InChIKeyTYXCVFWIDODFNQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine (CID 83045319) is 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine is CCCC(CNCC)n1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine?
The InChIKey is TYXCVFWIDODFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-12(9-13-6-2)15-11(4)8-10(3)14-15/h8,12-13H,5-7,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine is sourced from PubChem (CID 83045319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).