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

C11H11F3N4OS — CID 19267796

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-5-6(2)20-10(15-5)16-9(19)7-4-8(11(12,13)14)18(3)17-7/h4H,1-3H3,(H,15,16,19)
InChIKeyZBKBHDHVDZRVJN-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.76
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267796) has the molecular formula C11H11F3N4OS and a molecular weight of 304.30 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267796
Molecular FormulaC11H11F3N4OS
Molecular Weight304.30 g/mol
Exact Mass304.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc1C
InChIInChI=1S/C11H11F3N4OS/c1-5-6(2)20-10(15-5)16-9(19)7-4-8(11(12,13)14)18(3)17-7/h4H,1-3H3,(H,15,16,19)
InChIKeyZBKBHDHVDZRVJN-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267796) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1nc(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is ZBKBHDHVDZRVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4OS/c1-5-6(2)20-10(15-5)16-9(19)7-4-8(11(12,13)14)18(3)17-7/h4H,1-3H3,(H,15,16,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 304.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).