[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine

C11H12FN3 — CID 61033788

IUPAC[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCn1cc(-c2ccc(F)c(CN)c2)cn1
InChIInChI=1S/C11H12FN3/c1-15-7-10(6-14-15)8-2-3-11(12)9(4-8)5-13/h2-4,6-7H,5,13H2,1H3
InChIKeyWMPQJYOMCBHZRH-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.68
Rot. Bonds2

About [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine

[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 61033788) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID61033788
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCn1cc(-c2ccc(F)c(CN)c2)cn1
InChIInChI=1S/C11H12FN3/c1-15-7-10(6-14-15)8-2-3-11(12)9(4-8)5-13/h2-4,6-7H,5,13H2,1H3
InChIKeyWMPQJYOMCBHZRH-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 [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine (CID 61033788) is [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine is Cn1cc(-c2ccc(F)c(CN)c2)cn1.
What is the InChIKey of [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is WMPQJYOMCBHZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-7-10(6-14-15)8-2-3-11(12)9(4-8)5-13/h2-4,6-7H,5,13H2,1H3.
What are the key properties of [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine?
[2-fluoro-5-(1-methylpyrazol-4-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 [2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 61033788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).