3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine

C11H21N5 — CID 103078216

IUPAC3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
SMILESCCN1CCCC(Nc2nn(C)cc2N)C1
InChIInChI=1S/C11H21N5/c1-3-16-6-4-5-9(7-16)13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNEUNAZPTYBPCDU-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.90
Rot. Bonds3

About 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine

3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078216) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
PubChem CID103078216
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine
SMILESCCN1CCCC(Nc2nn(C)cc2N)C1
InChIInChI=1S/C11H21N5/c1-3-16-6-4-5-9(7-16)13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyNEUNAZPTYBPCDU-UHFFFAOYSA-N
XLogP0.90
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine (CID 103078216) is 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine is CCN1CCCC(Nc2nn(C)cc2N)C1.
What is the InChIKey of 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine?
The InChIKey is NEUNAZPTYBPCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-16-6-4-5-9(7-16)13-11-10(12)8-15(2)14-11/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine?
3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-ethylpiperidin-3-yl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).