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

C11H12FN3 — CID 63962017

IUPAC[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCn1nccc1-c1cc(CN)ccc1F
InChIInChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12/h2-6H,7,13H2,1H3
InChIKeyIWTZPVPTZIIBSH-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.68
Rot. Bonds2

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

[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine (PubChem CID 63962017) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
PubChem CID63962017
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine
SMILESCn1nccc1-c1cc(CN)ccc1F
InChIInChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12/h2-6H,7,13H2,1H3
InChIKeyIWTZPVPTZIIBSH-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 [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine (CID 63962017) is [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine is Cn1nccc1-c1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is IWTZPVPTZIIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12/h2-6H,7,13H2,1H3.
What are the key properties of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine?
[4-fluoro-3-(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 [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 63962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).