[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

C14H12FN3S — CID 82072979

IUPAC[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESNCc1cc(-c2cccs2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN3S/c15-10-3-5-12(6-4-10)18-13(8-11(9-16)17-18)14-2-1-7-19-14/h1-8H,9,16H2
InChIKeyCLUMZIQMYWTVSY-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.20
Rot. Bonds3

About [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (PubChem CID 82072979) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
PubChem CID82072979
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC Name[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESNCc1cc(-c2cccs2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN3S/c15-10-3-5-12(6-4-10)18-13(8-11(9-16)17-18)14-2-1-7-19-14/h1-8H,9,16H2
InChIKeyCLUMZIQMYWTVSY-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072992
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
1-(4-fluorophenyl)-4-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]piperazine
CID 139743917
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole
CID 102456242
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812780
[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761837

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (CID 82072979) is [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is NCc1cc(-c2cccs2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The InChIKey is CLUMZIQMYWTVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c15-10-3-5-12(6-4-10)18-13(8-11(9-16)17-18)14-2-1-7-19-14/h1-8H,9,16H2.
What are the key properties of [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine has a molecular weight of 273.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82072979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).