4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine

C13H16ClN3O — CID 117418562

IUPAC4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(Cl)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C13H16ClN3O/c1-7-5-10(14)8(2)11(12(7)18-4)9-6-16-17(3)13(9)15/h5-6H,15H2,1-4H3
InChIKeyMVAFBAUTHHVYCV-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.95
Rot. Bonds2

About 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine

4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117418562) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID117418562
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(Cl)c(C)c1-c1cnn(C)c1N
InChIInChI=1S/C13H16ClN3O/c1-7-5-10(14)8(2)11(12(7)18-4)9-6-16-17(3)13(9)15/h5-6H,15H2,1-4H3
InChIKeyMVAFBAUTHHVYCV-UHFFFAOYSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
4-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117476382
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117402644
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine (CID 117418562) is 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine is COc1c(C)cc(Cl)c(C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is MVAFBAUTHHVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-7-5-10(14)8(2)11(12(7)18-4)9-6-16-17(3)13(9)15/h5-6H,15H2,1-4H3.
What are the key properties of 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine?
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 265.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117418562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).