1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide

C18H16FN3O2S — CID 42109695

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-16-11-22(14-8-6-12(19)7-9-14)21-17(16)18(23)20-13-4-3-5-15(10-13)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyPAIWGCYQIXBXJJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 42109695) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID42109695
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C18H16FN3O2S/c1-24-16-11-22(14-8-6-12(19)7-9-14)21-17(16)18(23)20-13-4-3-5-15(10-13)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyPAIWGCYQIXBXJJ-UHFFFAOYSA-N
XLogP3.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide (CID 42109695) is 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is PAIWGCYQIXBXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-16-11-22(14-8-6-12(19)7-9-14)21-17(16)18(23)20-13-4-3-5-15(10-13)25-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(3-methylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42109695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).