[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine

C17H16FN3S — CID 67794895

IUPAC[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine
SMILESCSc1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3S/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3
InChIKeyHWNBAGMZONWXHI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds4

About [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine

[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine (PubChem CID 67794895) has the molecular formula C17H16FN3S and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine
PubChem CID67794895
Molecular FormulaC17H16FN3S
Molecular Weight313.40 g/mol
Exact Mass313.10
IUPAC Name[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine
SMILESCSc1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3S/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3
InChIKeyHWNBAGMZONWXHI-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine (CID 67794895) is [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine is CSc1ccc(-c2cc(CN)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine?
The InChIKey is HWNBAGMZONWXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3S/c1-22-16-8-2-12(3-9-16)17-10-14(11-19)20-21(17)15-6-4-13(18)5-7-15/h2-10H,11,19H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine?
[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine has a molecular weight of 313.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 67794895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).