4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine

C11H12FN3O — CID 171382899

IUPAC4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1ccc(-c2cn(C)nc2N)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-6-9(11(13)14-15)8-4-3-7(16-2)5-10(8)12/h3-6H,1-2H3,(H2,13,14)
InChIKeyFHNFTRXITNHQLN-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.82
Rot. Bonds2

About 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine

4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine (PubChem CID 171382899) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
PubChem CID171382899
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine
SMILESCOc1ccc(-c2cn(C)nc2N)c(F)c1
InChIInChI=1S/C11H12FN3O/c1-15-6-9(11(13)14-15)8-4-3-7(16-2)5-10(8)12/h3-6H,1-2H3,(H2,13,14)
InChIKeyFHNFTRXITNHQLN-UHFFFAOYSA-N
XLogP1.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine (CID 171382899) is 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine is COc1ccc(-c2cn(C)nc2N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
The InChIKey is FHNFTRXITNHQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-6-9(11(13)14-15)8-4-3-7(16-2)5-10(8)12/h3-6H,1-2H3,(H2,13,14).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine?
4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine has a molecular weight of 221.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 171382899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).