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

C15H21N3 — CID 54910186

IUPACN-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-5-16-10-13-7-6-8-14(9-13)15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyBNQHCOANGGHCIA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds4

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

N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 54910186) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
PubChem CID54910186
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2c(C)nn(C)c2C)c1
InChIInChI=1S/C15H21N3/c1-5-16-10-13-7-6-8-14(9-13)15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3
InChIKeyBNQHCOANGGHCIA-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine (CID 54910186) is N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is BNQHCOANGGHCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-16-10-13-7-6-8-14(9-13)15-11(2)17-18(4)12(15)3/h6-9,16H,5,10H2,1-4H3.
What are the key properties of N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine?
N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 54910186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).