4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

C17H14F3N5OS — CID 44588902

IUPAC4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c3c2CCC3)cc1
InChIInChI=1S/C17H14F3N5OS/c1-9-14(27-24-22-9)16(26)21-10-5-7-11(8-6-10)25-13-4-2-3-12(13)15(23-25)17(18,19)20/h5-8H,2-4H2,1H3,(H,21,26)
InChIKeyQLOKFTXQBSWCOE-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.79
Rot. Bonds3

About 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide

4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (PubChem CID 44588902) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
PubChem CID44588902
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC Name4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c3c2CCC3)cc1
InChIInChI=1S/C17H14F3N5OS/c1-9-14(27-24-22-9)16(26)21-10-5-7-11(8-6-10)25-13-4-2-3-12(13)15(23-25)17(18,19)20/h5-8H,2-4H2,1H3,(H,21,26)
InChIKeyQLOKFTXQBSWCOE-UHFFFAOYSA-N
XLogP3.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-4'-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-1,2,3-thiadiazole-5-carboxanilide
CID 2455
N-[4-[3-(Trifluoromethyl)-5-methyl-1H-pyrazole-1-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 44588900
N-[4-[3-(Trifluoromethyl)-5-bromo-1H-pyrazole-1-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 44588936
4-methyl-N-[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
CID 44588901
N-[4-[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44588903
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 51352663
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 51352912
N-[4-(3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 51353242
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 57518329
N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44588937
4-methyl-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
CID 44588899
N-[3-amino-4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 46189655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide (CID 44588902) is 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)c3c2CCC3)cc1.
What is the InChIKey of 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
The InChIKey is QLOKFTXQBSWCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-9-14(27-24-22-9)16(26)21-10-5-7-11(8-6-10)25-13-4-2-3-12(13)15(23-25)17(18,19)20/h5-8H,2-4H2,1H3,(H,21,26).
What are the key properties of 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide?
4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 44588902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).