N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide

C21H17FN4OS — CID 118010144

IUPACN-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H17FN4OS/c1-2-19-17(13-26(25-19)21-23-11-12-28-21)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-18(16)22/h3-13H,2H2,1H3,(H,24,27)
InChIKeyZBSUFHLAFIMALA-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide

N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide (PubChem CID 118010144) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide
PubChem CID118010144
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC NameN-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide
SMILESCCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C21H17FN4OS/c1-2-19-17(13-26(25-19)21-23-11-12-28-21)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-18(16)22/h3-13H,2H2,1H3,(H,24,27)
InChIKeyZBSUFHLAFIMALA-UHFFFAOYSA-N
XLogP4.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide (CID 118010144) is N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide is CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide?
The InChIKey is ZBSUFHLAFIMALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c1-2-19-17(13-26(25-19)21-23-11-12-28-21)14-7-9-15(10-8-14)24-20(27)16-5-3-4-6-18(16)22/h3-13H,2H2,1H3,(H,24,27).
What are the key properties of N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide?
N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide has a molecular weight of 392.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 118010144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).