[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine

C11H12FN3 — CID 81447352

IUPAC[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCn1nccc1-c1ccc(CN)cc1F
InChIInChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-3-2-8(7-13)6-10(9)12/h2-6H,7,13H2,1H3
InChIKeyJOSJCJAWRVJTQD-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.68
Rot. Bonds2

About [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine

[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine (PubChem CID 81447352) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
PubChem CID81447352
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCn1nccc1-c1ccc(CN)cc1F
InChIInChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-3-2-8(7-13)6-10(9)12/h2-6H,7,13H2,1H3
InChIKeyJOSJCJAWRVJTQD-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

Analyze [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine (CID 81447352) is [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine is Cn1nccc1-c1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is JOSJCJAWRVJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-3-2-8(7-13)6-10(9)12/h2-6H,7,13H2,1H3.
What are the key properties of [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine?
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]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 [3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 81447352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).