1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

C19H13FN4OS — CID 43071659

IUPAC1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H13FN4OS/c20-14-6-8-15(9-7-14)24-11-10-16(23-24)18(25)22-19-21-17(12-26-19)13-4-2-1-3-5-13/h1-12H,(H,21,22,25)
InChIKeyMCISTUJGCZAAPB-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 43071659) has the molecular formula C19H13FN4OS and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID43071659
Molecular FormulaC19H13FN4OS
Molecular Weight364.41 g/mol
Exact Mass364.08
IUPAC Name1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H13FN4OS/c20-14-6-8-15(9-7-14)24-11-10-16(23-24)18(25)22-19-21-17(12-26-19)13-4-2-1-3-5-13/h1-12H,(H,21,22,25)
InChIKeyMCISTUJGCZAAPB-UHFFFAOYSA-N
XLogP4.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[(1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 46430847
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1275742
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19178667
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16604951

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 43071659) is 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is MCISTUJGCZAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4OS/c20-14-6-8-15(9-7-14)24-11-10-16(23-24)18(25)22-19-21-17(12-26-19)13-4-2-1-3-5-13/h1-12H,(H,21,22,25).
What are the key properties of 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 43071659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).