1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

C17H32N4 — CID 115717464

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCCC2CCN(C)CC2)c1C
InChIInChI=1S/C17H32N4/c1-6-21-15(4)17(14(3)19-21)13(2)18-10-7-16-8-11-20(5)12-9-16/h13,16,18H,6-12H2,1-5H3
InChIKeyMNWIRAGSVNGXJD-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.90
Rot. Bonds6

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (PubChem CID 115717464) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
PubChem CID115717464
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
SMILESCCn1nc(C)c(C(C)NCCC2CCN(C)CC2)c1C
InChIInChI=1S/C17H32N4/c1-6-21-15(4)17(14(3)19-21)13(2)18-10-7-16-8-11-20(5)12-9-16/h13,16,18H,6-12H2,1-5H3
InChIKeyMNWIRAGSVNGXJD-UHFFFAOYSA-N
XLogP2.90
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine (CID 115717464) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine is CCn1nc(C)c(C(C)NCCC2CCN(C)CC2)c1C.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
The InChIKey is MNWIRAGSVNGXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-21-15(4)17(14(3)19-21)13(2)18-10-7-16-8-11-20(5)12-9-16/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine has a molecular weight of 292.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine is sourced from PubChem (CID 115717464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).