N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

C21H17FN4O2S — CID 55756782

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccccc4)n3)n2)cc1F
InChIInChI=1S/C21H17FN4O2S/c1-13-10-17(25-26(13)15-6-4-3-5-7-15)20(27)24-21-23-18(12-29-21)14-8-9-19(28-2)16(22)11-14/h3-12H,1-2H3,(H,23,24,27)
InChIKeyQJVMZEDAYUNKTF-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.70
Rot. Bonds5

About N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55756782) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55756782
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccccc4)n3)n2)cc1F
InChIInChI=1S/C21H17FN4O2S/c1-13-10-17(25-26(13)15-6-4-3-5-7-15)20(27)24-21-23-18(12-29-21)14-8-9-19(28-2)16(22)11-14/h3-12H,1-2H3,(H,23,24,27)
InChIKeyQJVMZEDAYUNKTF-UHFFFAOYSA-N
XLogP4.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55756782) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(C)n(-c4ccccc4)n3)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is QJVMZEDAYUNKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-13-10-17(25-26(13)15-6-4-3-5-7-15)20(27)24-21-23-18(12-29-21)14-8-9-19(28-2)16(22)11-14/h3-12H,1-2H3,(H,23,24,27).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55756782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).