3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine

C13H15F2N3O2 — CID 117455221

IUPAC3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(C(F)F)cc(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C13H15F2N3O2/c1-18-11(16)6-9(17-18)8-4-7(13(14)15)5-10(19-2)12(8)20-3/h4-6,13H,16H2,1-3H3
InChIKeyIBJDAHRVJCXUJL-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.62
Rot. Bonds4

About 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine

3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117455221) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117455221
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(C(F)F)cc(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C13H15F2N3O2/c1-18-11(16)6-9(17-18)8-4-7(13(14)15)5-10(19-2)12(8)20-3/h4-6,13H,16H2,1-3H3
InChIKeyIBJDAHRVJCXUJL-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
CID 117470471
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-1-methylpyrazol-5-amine
CID 117421184
4-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117447770
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine (CID 117455221) is 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine is COc1cc(C(F)F)cc(-c2cc(N)n(C)n2)c1OC.
What is the InChIKey of 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is IBJDAHRVJCXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-18-11(16)6-9(17-18)8-4-7(13(14)15)5-10(19-2)12(8)20-3/h4-6,13H,16H2,1-3H3.
What are the key properties of 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine?
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 283.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117455221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).