2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C14H19N3 — CID 103000748

IUPAC2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-11-4-5-12(2)14(10-11)15-8-6-13-7-9-16-17(13)3/h4-5,7,9-10,15H,6,8H2,1-3H3
InChIKeyWDIWUTFRBQCSTK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds4

About 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103000748) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103000748
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(C)c(NCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-11-4-5-12(2)14(10-11)15-8-6-13-7-9-16-17(13)3/h4-5,7,9-10,15H,6,8H2,1-3H3
InChIKeyWDIWUTFRBQCSTK-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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Related Compounds

2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000541
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
2-(2,5-dimethylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103007076
5-[2-(2,5-dimethylphenoxy)ethyl]-1-methylpyrazole
CID 103016135
2-chloro-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 115877145
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103000748) is 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1ccc(C)c(NCCc2ccnn2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is WDIWUTFRBQCSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-5-12(2)14(10-11)15-8-6-13-7-9-16-17(13)3/h4-5,7,9-10,15H,6,8H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
2,5-dimethyl-N-[2-(2-methylpyrazol-3-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 2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103000748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).