3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine

C13H16ClN3O2 — CID 117452274

IUPAC3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C13H16ClN3O2/c1-7-5-8(14)12(18-3)13(19-4)11(7)9-6-10(15)17(2)16-9/h5-6H,15H2,1-4H3
InChIKeyWWUNOMJWZHOUIH-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.65
Rot. Bonds3

About 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine

3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117452274) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117452274
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C13H16ClN3O2/c1-7-5-8(14)12(18-3)13(19-4)11(7)9-6-10(15)17(2)16-9/h5-6H,15H2,1-4H3
InChIKeyWWUNOMJWZHOUIH-UHFFFAOYSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
CID 136942186
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476516
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
CID 136942179

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine (CID 117452274) is 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine is COc1c(Cl)cc(C)c(-c2cc(N)n(C)n2)c1OC.
What is the InChIKey of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is WWUNOMJWZHOUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-7-5-8(14)12(18-3)13(19-4)11(7)9-6-10(15)17(2)16-9/h5-6H,15H2,1-4H3.
What are the key properties of 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 281.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117452274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).