4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C14H18ClN3O — CID 103000541

IUPAC4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NCCc1ccnn1C
InChIInChI=1S/C14H18ClN3O/c1-10-8-13(14(19-3)9-12(10)15)16-6-4-11-5-7-17-18(11)2/h5,7-9,16H,4,6H2,1-3H3
InChIKeyFRQYSGSILFYIQG-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.05
Rot. Bonds5

About 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103000541) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103000541
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCOc1cc(Cl)c(C)cc1NCCc1ccnn1C
InChIInChI=1S/C14H18ClN3O/c1-10-8-13(14(19-3)9-12(10)15)16-6-4-11-5-7-17-18(11)2/h5,7-9,16H,4,6H2,1-3H3
InChIKeyFRQYSGSILFYIQG-UHFFFAOYSA-N
XLogP3.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 103004508
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 115884099
2-bromo-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001561
2-bromo-5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001743
4-chloro-N-(2-ethoxyethyl)-2-methoxy-5-methylaniline
CID 43387882
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
5-[(4-chloro-2-methoxy-5-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630567
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103000541) is 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is COc1cc(Cl)c(C)cc1NCCc1ccnn1C.
What is the InChIKey of 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is FRQYSGSILFYIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-8-13(14(19-3)9-12(10)15)16-6-4-11-5-7-17-18(11)2/h5,7-9,16H,4,6H2,1-3H3.
What are the key properties of 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 279.77 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103000541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).