1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C20H17FN4OS — CID 35983268

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)sc2c1
InChIInChI=1S/C20H17FN4OS/c1-11-4-9-16-17(10-11)27-20(22-16)23-19(26)18-12(2)24-25(13(18)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H,22,23,26)
InChIKeyZSVITHYWKBELLW-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.80
Rot. Bonds3

About 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 35983268) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID35983268
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1ccc2nc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)sc2c1
InChIInChI=1S/C20H17FN4OS/c1-11-4-9-16-17(10-11)27-20(22-16)23-19(26)18-12(2)24-25(13(18)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H,22,23,26)
InChIKeyZSVITHYWKBELLW-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 112773059
1-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310627
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46690950
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 51090475
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55464576
1-(4-bromophenyl)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 108791547
1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825424
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 35983268) is 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is Cc1ccc2nc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)sc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZSVITHYWKBELLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-11-4-9-16-17(10-11)27-20(22-16)23-19(26)18-12(2)24-25(13(18)3)15-7-5-14(21)6-8-15/h4-10H,1-3H3,(H,22,23,26).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 35983268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).