N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine

C15H19N3 — CID 79340172

IUPACN-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine
SMILESCCNCC(C)=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3/c1-3-16-12-13(2)11-14-5-7-15(8-6-14)18-10-4-9-17-18/h4-11,16H,3,12H2,1-2H3
InChIKeyZEUZOVCXEZQJLB-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.89
Rot. Bonds5

About N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine

N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine (PubChem CID 79340172) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine
PubChem CID79340172
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine
SMILESCCNCC(C)=Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H19N3/c1-3-16-12-13(2)11-14-5-7-15(8-6-14)18-10-4-9-17-18/h4-11,16H,3,12H2,1-2H3
InChIKeyZEUZOVCXEZQJLB-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine (CID 79340172) is N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine is CCNCC(C)=Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine?
The InChIKey is ZEUZOVCXEZQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-16-12-13(2)11-14-5-7-15(8-6-14)18-10-4-9-17-18/h4-11,16H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine?
N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 79340172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).