1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide

C17H14FN3OS — CID 10830058

IUPAC1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22)
InChIKeyMIYYYUGRWMOCRM-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 10830058) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID10830058
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22)
InChIKeyMIYYYUGRWMOCRM-UHFFFAOYSA-N
XLogP3.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide (CID 10830058) is 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide is CSc1ccc(-c2cc(C(N)=O)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is MIYYYUGRWMOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-23-14-8-2-11(3-9-14)16-10-15(17(19)22)20-21(16)13-6-4-12(18)5-7-13/h2-10H,1H3,(H2,19,22).
What are the key properties of 1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.50, 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)pyrazole-3-carboxamide is sourced from PubChem (CID 10830058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).