1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide

C19H14FN5OS — CID 50780385

IUPAC1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H14FN5OS/c1-12-11-27-19(22-12)23-18(26)16-10-17(13-6-8-21-9-7-13)25(24-16)15-4-2-14(20)3-5-15/h2-11H,1H3,(H,22,23,26)
InChIKeyOLWWLZOJYXXIFK-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 50780385) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID50780385
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC Name1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H14FN5OS/c1-12-11-27-19(22-12)23-18(26)16-10-17(13-6-8-21-9-7-13)25(24-16)15-4-2-14(20)3-5-15/h2-11H,1H3,(H,22,23,26)
InChIKeyOLWWLZOJYXXIFK-UHFFFAOYSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide (CID 50780385) is 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide is Cc1csc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is OLWWLZOJYXXIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c1-12-11-27-19(22-12)23-18(26)16-10-17(13-6-8-21-9-7-13)25(24-16)15-4-2-14(20)3-5-15/h2-11H,1H3,(H,22,23,26).
What are the key properties of 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 50780385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).