4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine

C12H13F2N3O2 — CID 117426013

IUPAC4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc(F)c(-c2cnn(C)c2N)c1OC
InChIInChI=1S/C12H13F2N3O2/c1-17-12(15)6(5-16-17)9-7(13)4-8(14)10(18-2)11(9)19-3/h4-5H,15H2,1-3H3
InChIKeyZDYPORJIQGWTOO-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.96
Rot. Bonds3

About 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine

4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117426013) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117426013
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc(F)c(-c2cnn(C)c2N)c1OC
InChIInChI=1S/C12H13F2N3O2/c1-17-12(15)6(5-16-17)9-7(13)4-8(14)10(18-2)11(9)19-3/h4-5H,15H2,1-3H3
InChIKeyZDYPORJIQGWTOO-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117426013) is 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine is COc1c(F)cc(F)c(-c2cnn(C)c2N)c1OC.
What is the InChIKey of 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is ZDYPORJIQGWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-17-12(15)6(5-16-17)9-7(13)4-8(14)10(18-2)11(9)19-3/h4-5H,15H2,1-3H3.
What are the key properties of 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine?
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 269.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117426013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).