3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C13H16ClN3 — CID 106756818

IUPAC3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1c(Cl)cccc1NC(C)c1ccnn1C
InChIInChI=1S/C13H16ClN3/c1-9-11(14)5-4-6-12(9)16-10(2)13-7-8-15-17(13)3/h4-8,10,16H,1-3H3
InChIKeyRAUFEZJYCMTUJA-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.56
Rot. Bonds3

About 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106756818) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106756818
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1c(Cl)cccc1NC(C)c1ccnn1C
InChIInChI=1S/C13H16ClN3/c1-9-11(14)5-4-6-12(9)16-10(2)13-7-8-15-17(13)3/h4-8,10,16H,1-3H3
InChIKeyRAUFEZJYCMTUJA-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
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
2-(methoxymethyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757127
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459
2,4-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756779
3-chloro-4-[1-(2-methylpyrazol-3-yl)ethylamino]benzonitrile
CID 107807141
4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
2-(2-methylimidazol-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757565
3-chloro-2-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43096271
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106756818) is 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1c(Cl)cccc1NC(C)c1ccnn1C.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is RAUFEZJYCMTUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-11(14)5-4-6-12(9)16-10(2)13-7-8-15-17(13)3/h4-8,10,16H,1-3H3.
What are the key properties of 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 249.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106756818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).