[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine

C11H12FN3 — CID 83819837

IUPAC[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1ncc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3/c1-15-11(9(6-13)7-14-15)8-3-2-4-10(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyOHBJLIIUPPAUNG-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.68
Rot. Bonds2

About [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine

[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 83819837) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
PubChem CID83819837
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
SMILESCn1ncc(CN)c1-c1cccc(F)c1
InChIInChI=1S/C11H12FN3/c1-15-11(9(6-13)7-14-15)8-3-2-4-10(12)5-8/h2-5,7H,6,13H2,1H3
InChIKeyOHBJLIIUPPAUNG-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine (CID 83819837) is [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine is Cn1ncc(CN)c1-c1cccc(F)c1.
What is the InChIKey of [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is OHBJLIIUPPAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(9(6-13)7-14-15)8-3-2-4-10(12)5-8/h2-5,7H,6,13H2,1H3.
What are the key properties of [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine?
[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 83819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).