5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide

C18H17FN6OS — CID 110307605

IUPAC5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)ccc1F
InChIInChI=1S/C18H17FN6OS/c1-11-7-12(3-4-14(11)19)16-8-15(23-24(16)2)17(26)20-6-5-13-9-27-18-21-10-22-25(13)18/h3-4,7-10H,5-6H2,1-2H3,(H,20,26)
InChIKeyMAXJKQBIJQNYOG-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.61
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide

5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 110307605) has the molecular formula C18H17FN6OS and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
PubChem CID110307605
Molecular FormulaC18H17FN6OS
Molecular Weight384.44 g/mol
Exact Mass384.12
IUPAC Name5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)ccc1F
InChIInChI=1S/C18H17FN6OS/c1-11-7-12(3-4-14(11)19)16-8-15(23-24(16)2)17(26)20-6-5-13-9-27-18-21-10-22-25(13)18/h3-4,7-10H,5-6H2,1-2H3,(H,20,26)
InChIKeyMAXJKQBIJQNYOG-UHFFFAOYSA-N
XLogP2.61
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-5-(4-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide
CID 110307602
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
5-(4-fluoro-3-methylphenyl)-N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-1-methylpyrazole-3-carboxamide
CID 110309728
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110307573
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxamide
CID 110427015
3-(2-fluorophenyl)-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]propanamide
CID 110627635
5-(3,4-dimethylphenyl)-N-(2-hydroxy-2-methylpropyl)-1-methylpyrazole-3-carboxamide
CID 110306858
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299644
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
CID 110627645
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide (CID 110307605) is 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(-c2cc(C(=O)NCCc3csc4ncnn34)nn2C)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is MAXJKQBIJQNYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6OS/c1-11-7-12(3-4-14(11)19)16-8-15(23-24(16)2)17(26)20-6-5-13-9-27-18-21-10-22-25(13)18/h3-4,7-10H,5-6H2,1-2H3,(H,20,26).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-1-methyl-N-[2-([1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110307605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).