1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide

C18H16FN3O2S — CID 25284363

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H16FN3O2S/c1-24-15-11-22(13-9-7-12(19)8-10-13)21-17(15)18(23)20-14-5-3-4-6-16(14)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyMCNITNMUHZWACT-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.99
Rot. Bonds5

About 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide (PubChem CID 25284363) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
PubChem CID25284363
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H16FN3O2S/c1-24-15-11-22(13-9-7-12(19)8-10-13)21-17(15)18(23)20-14-5-3-4-6-16(14)25-2/h3-11H,1-2H3,(H,20,23)
InChIKeyMCNITNMUHZWACT-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

Analyze 1-(4-fluorophenyl)-4-methoxy-N-(2-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

Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
N-benzyl-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992482
4-methoxy-N-(4-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 9534923
4-ethoxy-1-(4-fluorophenyl)-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 45283985
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
4-methoxy-N-(2-methylpropyl)-1-phenylpyrazole-3-carboxamide
CID 18106024
1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carbonyl]piperazine
CID 25284333
1-(4-fluorophenyl)-4-methoxy-N-[(thiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 25284352
N-[4-(diethylamino)-2-methylphenyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284377
N-(2,6-difluorobenzyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 42109692
4-ethoxy-N-(2-ethylphenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 42109724
4-ethoxy-1-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxamide
CID 42109750

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide (CID 25284363) is 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1SC.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
The InChIKey is MCNITNMUHZWACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-24-15-11-22(13-9-7-12(19)8-10-13)21-17(15)18(23)20-14-5-3-4-6-16(14)25-2/h3-11H,1-2H3,(H,20,23).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(2-methylsulfanylphenyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(2-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-(2-methylsulfanylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).