3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine

C12H15FN4 — CID 115111981

IUPAC3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1c(F)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15FN4/c1-16(2)12-8(5-4-6-9(12)13)10-7-11(14)17(3)15-10/h4-7H,14H2,1-3H3
InChIKeyQFSJJRNJBDYIIV-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.87
Rot. Bonds2

About 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine

3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine (PubChem CID 115111981) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
PubChem CID115111981
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCN(C)c1c(F)cccc1-c1cc(N)n(C)n1
InChIInChI=1S/C12H15FN4/c1-16(2)12-8(5-4-6-9(12)13)10-7-11(14)17(3)15-10/h4-7H,14H2,1-3H3
InChIKeyQFSJJRNJBDYIIV-UHFFFAOYSA-N
XLogP1.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine (CID 115111981) is 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine is CN(C)c1c(F)cccc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine?
The InChIKey is QFSJJRNJBDYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16(2)12-8(5-4-6-9(12)13)10-7-11(14)17(3)15-10/h4-7H,14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine?
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine has a molecular weight of 234.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 115111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).