2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C14H19N3 — CID 106756779

IUPAC2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccnn2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h5-9,12,16H,1-4H3
InChIKeyDPKORUYBZMVRRL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.21
Rot. Bonds3

About 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106756779) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106756779
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1ccc(NC(C)c2ccnn2C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h5-9,12,16H,1-4H3
InChIKeyDPKORUYBZMVRRL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
4,5-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 106757744
2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432
2,4-dimethyl-N-(1-pyridin-4-ylethyl)aniline
CID 43189781
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756818
1-(2,4-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858423
3-chloro-4-[1-(2-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 107807141
4-fluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 106757183
2-fluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-nitroaniline
CID 106757712

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106756779) is 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1ccc(NC(C)c2ccnn2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is DPKORUYBZMVRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-6-13(11(2)9-10)16-12(3)14-7-8-15-17(14)4/h5-9,12,16H,1-4H3.
What are the key properties of 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106756779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).