3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide

C20H15FN4OS — CID 2123250

IUPAC3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C20H15FN4OS/c1-13-12-27-20(23-13)17-11-22-25(16-8-3-2-4-9-16)18(17)24-19(26)14-6-5-7-15(21)10-14/h2-12H,1H3,(H,24,26)
InChIKeyIFYKGQFWHJBGCH-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.70
Rot. Bonds4

About 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide

3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide (PubChem CID 2123250) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
PubChem CID2123250
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide
SMILESCc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C20H15FN4OS/c1-13-12-27-20(23-13)17-11-22-25(16-8-3-2-4-9-16)18(17)24-19(26)14-6-5-7-15(21)10-14/h2-12H,1H3,(H,24,26)
InChIKeyIFYKGQFWHJBGCH-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide (CID 2123250) is 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide is Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
The InChIKey is IFYKGQFWHJBGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c1-13-12-27-20(23-13)17-11-22-25(16-8-3-2-4-9-16)18(17)24-19(26)14-6-5-7-15(21)10-14/h2-12H,1H3,(H,24,26).
What are the key properties of 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide?
3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 2123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).