2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine

C15H21N3 — CID 63815380

IUPAC2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cc(-n2nc(C)c(C)c2C)ccc1CCN
InChIInChI=1S/C15H21N3/c1-10-9-15(6-5-14(10)7-8-16)18-13(4)11(2)12(3)17-18/h5-6,9H,7-8,16H2,1-4H3
InChIKeyNCUNXRGDWNQODJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine

2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 63815380) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
PubChem CID63815380
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1cc(-n2nc(C)c(C)c2C)ccc1CCN
InChIInChI=1S/C15H21N3/c1-10-9-15(6-5-14(10)7-8-16)18-13(4)11(2)12(3)17-18/h5-6,9H,7-8,16H2,1-4H3
InChIKeyNCUNXRGDWNQODJ-UHFFFAOYSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine (CID 63815380) is 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine is Cc1cc(-n2nc(C)c(C)c2C)ccc1CCN.
What is the InChIKey of 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is NCUNXRGDWNQODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-9-15(6-5-14(10)7-8-16)18-13(4)11(2)12(3)17-18/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine?
2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63815380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).