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

C8H4F5N5OS — CID 4768186

IUPAC1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccn(C(F)F)n1
InChIInChI=1S/C8H4F5N5OS/c9-6(10)18-2-1-3(17-18)4(19)14-7-16-15-5(20-7)8(11,12)13/h1-2,6H,(H,14,16,19)
InChIKeyXNPIEBKZBRIYPX-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.40
Rot. Bonds3

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

1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 4768186) has the molecular formula C8H4F5N5OS and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
PubChem CID4768186
Molecular FormulaC8H4F5N5OS
Molecular Weight313.21 g/mol
Exact Mass313.01
IUPAC Name1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccn(C(F)F)n1
InChIInChI=1S/C8H4F5N5OS/c9-6(10)18-2-1-3(17-18)4(19)14-7-16-15-5(20-7)8(11,12)13/h1-2,6H,(H,14,16,19)
InChIKeyXNPIEBKZBRIYPX-UHFFFAOYSA-N
XLogP2.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide (CID 4768186) is 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is XNPIEBKZBRIYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N5OS/c9-6(10)18-2-1-3(17-18)4(19)14-7-16-15-5(20-7)8(11,12)13/h1-2,6H,(H,14,16,19).
What are the key properties of 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 313.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 4768186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).