1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine

C11H12FN3 — CID 39240895

IUPAC1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2cccc(F)c2)c(C)c1N
InChIInChI=1S/C11H12FN3/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(12)6-10/h3-6H,13H2,1-2H3
InChIKeyPJVQLYYBMGQTKN-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.21
Rot. Bonds1

About 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine

1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 39240895) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine
PubChem CID39240895
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(-c2cccc(F)c2)c(C)c1N
InChIInChI=1S/C11H12FN3/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(12)6-10/h3-6H,13H2,1-2H3
InChIKeyPJVQLYYBMGQTKN-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine (CID 39240895) is 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine is Cc1nn(-c2cccc(F)c2)c(C)c1N.
What is the InChIKey of 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is PJVQLYYBMGQTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(12)6-10/h3-6H,13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine?
1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 205.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 39240895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).