1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

C17H14FN3O3S — CID 175832347

IUPAC1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3F)cc2C(N)=O)cc1
InChIInChI=1S/C17H14FN3O3S/c1-25(23,24)12-8-6-11(7-9-12)16-13(17(19)22)10-21(20-16)15-5-3-2-4-14(15)18/h2-10H,1H3,(H2,19,22)
InChIKeyAGQPEBQLYKMGNJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 175832347) has the molecular formula C17H14FN3O3S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID175832347
Molecular FormulaC17H14FN3O3S
Molecular Weight359.38 g/mol
Exact Mass359.07
IUPAC Name1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3F)cc2C(N)=O)cc1
InChIInChI=1S/C17H14FN3O3S/c1-25(23,24)12-8-6-11(7-9-12)16-13(17(19)22)10-21(20-16)15-5-3-2-4-14(15)18/h2-10H,1H3,(H2,19,22)
InChIKeyAGQPEBQLYKMGNJ-UHFFFAOYSA-N
XLogP2.18
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 175832347) is 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3ccccc3F)cc2C(N)=O)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is AGQPEBQLYKMGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S/c1-25(23,24)12-8-6-11(7-9-12)16-13(17(19)22)10-21(20-16)15-5-3-2-4-14(15)18/h2-10H,1H3,(H2,19,22).
What are the key properties of 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175832347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).