N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline

C14H19N3 — CID 63104702

IUPACN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
SMILESCc1nn(C)c(C)c1CCNc1ccccc1
InChIInChI=1S/C14H19N3/c1-11-14(12(2)17(3)16-11)9-10-15-13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3
InChIKeyALVLPHQVKFGEOG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline

N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline (PubChem CID 63104702) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
PubChem CID63104702
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
SMILESCc1nn(C)c(C)c1CCNc1ccccc1
InChIInChI=1S/C14H19N3/c1-11-14(12(2)17(3)16-11)9-10-15-13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3
InChIKeyALVLPHQVKFGEOG-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline?
The IUPAC name of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline (CID 63104702) is N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline?
The canonical SMILES for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline is Cc1nn(C)c(C)c1CCNc1ccccc1.
What is the InChIKey of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline?
The InChIKey is ALVLPHQVKFGEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-14(12(2)17(3)16-11)9-10-15-13-7-5-4-6-8-13/h4-8,15H,9-10H2,1-3H3.
What are the key properties of N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline?
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 63104702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).