N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C15H15FN4OS — CID 17446826

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1=NCCS1
InChIInChI=1S/C15H15FN4OS/c1-9-13(14(21)18-15-17-7-8-22-15)10(2)20(19-9)12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18,21)
InChIKeyVQKYLHGMJHYXFB-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.46
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 17446826) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID17446826
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1=NCCS1
InChIInChI=1S/C15H15FN4OS/c1-9-13(14(21)18-15-17-7-8-22-15)10(2)20(19-9)12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18,21)
InChIKeyVQKYLHGMJHYXFB-UHFFFAOYSA-N
XLogP2.46
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 17446826) is N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is VQKYLHGMJHYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-9-13(14(21)18-15-17-7-8-22-15)10(2)20(19-9)12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17446826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).