4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine

C12H14FN3O — CID 117342062

IUPAC4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)ccc(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14FN3O/c1-7-4-5-9(13)11(17-3)10(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3
InChIKeyNMSPFKADFVJTIJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.13
Rot. Bonds2

About 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine

4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117342062) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117342062
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)ccc(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H14FN3O/c1-7-4-5-9(13)11(17-3)10(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3
InChIKeyNMSPFKADFVJTIJ-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-2-methoxy-6-methylphenyl)-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

4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117402644
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
4-[2-(dimethylamino)-3,6-difluorophenyl]-1-methylpyrazol-5-amine
CID 115112497
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine (CID 117342062) is 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine is COc1c(F)ccc(C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is NMSPFKADFVJTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-4-5-9(13)11(17-3)10(7)8-6-15-16(2)12(8)14/h4-6H,14H2,1-3H3.
What are the key properties of 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 235.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117342062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).