N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C23H19FN4O2S — CID 112773059

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)nc1-c1ccccc1
InChIInChI=1S/C23H19FN4O2S/c1-13-19(14(2)28(27-13)18-11-9-17(24)10-12-18)22(30)26-23-25-20(21(31-23)15(3)29)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,25,26,30)
InChIKeyWLMTZVAWOACXKQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.21
Rot. Bonds5

About N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 112773059) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID112773059
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)nc1-c1ccccc1
InChIInChI=1S/C23H19FN4O2S/c1-13-19(14(2)28(27-13)18-11-9-17(24)10-12-18)22(30)26-23-25-20(21(31-23)15(3)29)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,25,26,30)
InChIKeyWLMTZVAWOACXKQ-UHFFFAOYSA-N
XLogP5.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 35983268
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16952111
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
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methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 26246659
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 56809268
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 26196541
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-bromobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 112773059) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is CC(=O)c1sc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is WLMTZVAWOACXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-13-19(14(2)28(27-13)18-11-9-17(24)10-12-18)22(30)26-23-25-20(21(31-23)15(3)29)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,25,26,30).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 112773059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).