1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide

C14H16FN3O3S — CID 71975737

IUPAC1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCCS(C)=O)n1
InChIInChI=1S/C14H16FN3O3S/c1-9-7-10(15)3-4-11(9)18-8-12(19)13(17-18)14(20)16-5-6-22(2)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20)
InChIKeyUTKWKMZYEAIUHN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.13
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide (PubChem CID 71975737) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
PubChem CID71975737
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCCS(C)=O)n1
InChIInChI=1S/C14H16FN3O3S/c1-9-7-10(15)3-4-11(9)18-8-12(19)13(17-18)14(20)16-5-6-22(2)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20)
InChIKeyUTKWKMZYEAIUHN-UHFFFAOYSA-N
XLogP1.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide (CID 71975737) is 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCCS(C)=O)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide?
The InChIKey is UTKWKMZYEAIUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-9-7-10(15)3-4-11(9)18-8-12(19)13(17-18)14(20)16-5-6-22(2)21/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71975737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).