5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

C13H24N4 — CID 66015241

IUPAC5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC(C)(C)C2)c1N
InChIInChI=1S/C13H24N4/c1-5-10-11(14)12(16(4)15-10)17-8-6-7-13(2,3)9-17/h5-9,14H2,1-4H3
InChIKeyMKBXJDUDBGSMJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.19
Rot. Bonds2

About 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66015241) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66015241
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCCC(C)(C)C2)c1N
InChIInChI=1S/C13H24N4/c1-5-10-11(14)12(16(4)15-10)17-8-6-7-13(2,3)9-17/h5-9,14H2,1-4H3
InChIKeyMKBXJDUDBGSMJF-UHFFFAOYSA-N
XLogP2.19
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 66015241) is 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CCCC(C)(C)C2)c1N.
What is the InChIKey of 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is MKBXJDUDBGSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-10-11(14)12(16(4)15-10)17-8-6-7-13(2,3)9-17/h5-9,14H2,1-4H3.
What are the key properties of 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylpiperidin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66015241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).