1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

C9H8F3N5OS — CID 174989517

IUPAC1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H8F3N5OS/c1-4-3-17(2)16-5(4)6(18)13-8-15-14-7(19-8)9(10,11)12/h3H,1-2H3,(H,13,15,18)
InChIKeyFACOUOZHIVFBEA-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.85
Rot. Bonds2

About 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide

1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 174989517) has the molecular formula C9H8F3N5OS and a molecular weight of 291.26 g/mol. Its IUPAC name is 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID174989517
Molecular FormulaC9H8F3N5OS
Molecular Weight291.26 g/mol
Exact Mass291.04
IUPAC Name1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H8F3N5OS/c1-4-3-17(2)16-5(4)6(18)13-8-15-14-7(19-8)9(10,11)12/h3H,1-2H3,(H,13,15,18)
InChIKeyFACOUOZHIVFBEA-UHFFFAOYSA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (CID 174989517) is 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is FACOUOZHIVFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5OS/c1-4-3-17(2)16-5(4)6(18)13-8-15-14-7(19-8)9(10,11)12/h3H,1-2H3,(H,13,15,18).
What are the key properties of 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 174989517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).