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

C16H15FN4OS — CID 71580328

IUPAC5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22)
InChIKeyRGRWZXHDRHFXDI-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.55
Rot. Bonds3

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

5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 71580328) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID71580328
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1
InChIInChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22)
InChIKeyRGRWZXHDRHFXDI-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 71580328) is 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1csc(NC(=O)c2nn(C)c(-c3ccc(F)cc3)c2C)n1.
What is the InChIKey of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is RGRWZXHDRHFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-9-8-23-16(18-9)19-15(22)13-10(2)14(21(3)20-13)11-4-6-12(17)7-5-11/h4-8H,1-3H3,(H,18,19,22).
What are the key properties of 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,4-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 71580328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).