5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine

C11H20N4 — CID 115092847

IUPAC5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
SMILESCCN1CCCC(Cc2cc(N)n[nH]2)C1
InChIInChI=1S/C11H20N4/c1-2-15-5-3-4-9(8-15)6-10-7-11(12)14-13-10/h7,9H,2-6,8H2,1H3,(H3,12,13,14)
InChIKeyWAERREHJYUVTDE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.27
Rot. Bonds3

About 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine

5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine (PubChem CID 115092847) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
PubChem CID115092847
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine
SMILESCCN1CCCC(Cc2cc(N)n[nH]2)C1
InChIInChI=1S/C11H20N4/c1-2-15-5-3-4-9(8-15)6-10-7-11(12)14-13-10/h7,9H,2-6,8H2,1H3,(H3,12,13,14)
InChIKeyWAERREHJYUVTDE-UHFFFAOYSA-N
XLogP1.27
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine (CID 115092847) is 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine is CCN1CCCC(Cc2cc(N)n[nH]2)C1.
What is the InChIKey of 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine?
The InChIKey is WAERREHJYUVTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-5-3-4-9(8-15)6-10-7-11(12)14-13-10/h7,9H,2-6,8H2,1H3,(H3,12,13,14).
What are the key properties of 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine?
5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-3-yl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 115092847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).