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

C8H5ClF3N5OS — CID 6467691

IUPAC4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H5ClF3N5OS/c1-17-4(3(9)2-13-17)5(18)14-7-16-15-6(19-7)8(10,11)12/h2H,1H3,(H,14,16,18)
InChIKeyDEZRCGMWAFEBLJ-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.20
Rot. Bonds2

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

4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 6467691) has the molecular formula C8H5ClF3N5OS and a molecular weight of 311.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
PubChem CID6467691
Molecular FormulaC8H5ClF3N5OS
Molecular Weight311.68 g/mol
Exact Mass310.99
IUPAC Name4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H5ClF3N5OS/c1-17-4(3(9)2-13-17)5(18)14-7-16-15-6(19-7)8(10,11)12/h2H,1H3,(H,14,16,18)
InChIKeyDEZRCGMWAFEBLJ-UHFFFAOYSA-N
XLogP2.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide (CID 6467691) is 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is DEZRCGMWAFEBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5OS/c1-17-4(3(9)2-13-17)5(18)14-7-16-15-6(19-7)8(10,11)12/h2H,1H3,(H,14,16,18).
What are the key properties of 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 311.68 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 6467691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).