3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

C12H14ClN3O — CID 117382584

IUPAC3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(C)cc(-c2cc(N)n(C)n2)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-7-4-8(12(13)10(5-7)17-3)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyRZQFJNXEQWFTRY-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.64
Rot. Bonds2

About 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117382584) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117382584
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(C)cc(-c2cc(N)n(C)n2)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-7-4-8(12(13)10(5-7)17-3)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3
InChIKeyRZQFJNXEQWFTRY-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (CID 117382584) is 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is COc1cc(C)cc(-c2cc(N)n(C)n2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is RZQFJNXEQWFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-4-8(12(13)10(5-7)17-3)9-6-11(14)16(2)15-9/h4-6H,14H2,1-3H3.
What are the key properties of 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 251.72 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117382584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).