4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine

C15H28N4 — CID 55046555

IUPAC4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCNc1c(CN2CCCC(C)C2C)c(C)nn1C
InChIInChI=1S/C15H28N4/c1-6-16-15-14(12(3)17-18(15)5)10-19-9-7-8-11(2)13(19)4/h11,13,16H,6-10H2,1-5H3
InChIKeyZMOUIHXFSWFOCD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.78
Rot. Bonds4

About 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine

4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine (PubChem CID 55046555) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
PubChem CID55046555
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
SMILESCCNc1c(CN2CCCC(C)C2C)c(C)nn1C
InChIInChI=1S/C15H28N4/c1-6-16-15-14(12(3)17-18(15)5)10-19-9-7-8-11(2)13(19)4/h11,13,16H,6-10H2,1-5H3
InChIKeyZMOUIHXFSWFOCD-UHFFFAOYSA-N
XLogP2.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine (CID 55046555) is 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine is CCNc1c(CN2CCCC(C)C2C)c(C)nn1C.
What is the InChIKey of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
The InChIKey is ZMOUIHXFSWFOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-16-15-14(12(3)17-18(15)5)10-19-9-7-8-11(2)13(19)4/h11,13,16H,6-10H2,1-5H3.
What are the key properties of 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine?
4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine has a molecular weight of 264.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55046555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).