2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine

C17H25N3 — CID 79225933

IUPAC2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C17H25N3/c1-11-9-12(2)17(13(3)10-11)20-15(5)16(7-8-18-6)14(4)19-20/h9-10,18H,7-8H2,1-6H3
InChIKeyWOURSACOSGDODP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.18
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine

2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 79225933) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID79225933
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNCCc1c(C)nn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C17H25N3/c1-11-9-12(2)17(13(3)10-11)20-15(5)16(7-8-18-6)14(4)19-20/h9-10,18H,7-8H2,1-6H3
InChIKeyWOURSACOSGDODP-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine (CID 79225933) is 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine is CNCCc1c(C)nn(-c2c(C)cc(C)cc2C)c1C.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is WOURSACOSGDODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-9-12(2)17(13(3)10-11)20-15(5)16(7-8-18-6)14(4)19-20/h9-10,18H,7-8H2,1-6H3.
What are the key properties of 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine?
2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 79225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).