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

C14H19N3 — CID 103000710

IUPAC3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1cc(C)cc(NCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-11-8-12(2)10-13(9-11)15-6-4-14-5-7-16-17(14)3/h5,7-10,15H,4,6H2,1-3H3
InChIKeyAHGHRTBLUBQSCF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds4

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

3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103000710) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103000710
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1cc(C)cc(NCCc2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-11-8-12(2)10-13(9-11)15-6-4-14-5-7-16-17(14)3/h5,7-10,15H,4,6H2,1-3H3
InChIKeyAHGHRTBLUBQSCF-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

3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695901
3-amino-5-[2-(2-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
CID 103004382
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
4-[2-(2-methylpyrazol-3-yl)ethylamino]benzene-1,2-dicarbonitrile
CID 107789369
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103002231

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103000710) is 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1cc(C)cc(NCCc2ccnn2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is AHGHRTBLUBQSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-8-12(2)10-13(9-11)15-6-4-14-5-7-16-17(14)3/h5,7-10,15H,4,6H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
3,5-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 3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103000710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).