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

C17H14FN3OS — CID 45030519

IUPAC3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-6-13(7-9-14)19-17(22)16-10-15(20-21-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyOZKYHHATVFRKHF-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.19
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 45030519) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID45030519
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C17H14FN3OS/c1-23-14-8-6-13(7-9-14)19-17(22)16-10-15(20-21-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyOZKYHHATVFRKHF-UHFFFAOYSA-N
XLogP4.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030503
N-(3,5-difluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030497
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
5-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-1H-pyrazole
CID 67600734
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
butyl 4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]benzoate
CID 46920237
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide (CID 45030519) is 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is CSc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OZKYHHATVFRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-23-14-8-6-13(7-9-14)19-17(22)16-10-15(20-21-16)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 45030519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).