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

C11H12FN3 — CID 102814406

IUPAC[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cnn(-c2cc(F)cc(CN)c2)c1
InChIInChI=1S/C11H12FN3/c1-8-6-14-15(7-8)11-3-9(5-13)2-10(12)4-11/h2-4,6-7H,5,13H2,1H3
InChIKeyARIZIMZZKICXLT-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.78
Rot. Bonds2

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

[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine (PubChem CID 102814406) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
PubChem CID102814406
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
SMILESCc1cnn(-c2cc(F)cc(CN)c2)c1
InChIInChI=1S/C11H12FN3/c1-8-6-14-15(7-8)11-3-9(5-13)2-10(12)4-11/h2-4,6-7H,5,13H2,1H3
InChIKeyARIZIMZZKICXLT-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole
CID 145347331
3-fluoro-5-(4-methylpyrazol-1-yl)aniline
CID 80751942
[3-fluoro-5-[1-(1-methylpyrazol-4-yl)pyrazol-4-yl]phenyl]methanamine
CID 170765723
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
CID 106530074
[3-(4,5-dimethylimidazol-1-yl)-5-fluorophenyl]methanamine
CID 102814423
5-(aminomethyl)-2-(4-methylpyrazol-1-yl)aniline
CID 82506416
[2-bromo-3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 107532554
[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methanamine
CID 102814421
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
CID 116641620
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine (CID 102814406) is [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine is Cc1cnn(-c2cc(F)cc(CN)c2)c1.
What is the InChIKey of [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine?
The InChIKey is ARIZIMZZKICXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8-6-14-15(7-8)11-3-9(5-13)2-10(12)4-11/h2-4,6-7H,5,13H2,1H3.
What are the key properties of [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine?
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 102814406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).