N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

C17H14F3N5OS — CID 51352912

IUPACN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C17H14F3N5OS/c1-9-15(27-24-22-9)16(26)21-11-4-6-12(7-5-11)25-13(10-2-3-10)8-14(23-25)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,21,26)
InChIKeyAFWWKCQISQJWEL-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.18
Rot. Bonds4

About N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 51352912) has the molecular formula C17H14F3N5OS and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID51352912
Molecular FormulaC17H14F3N5OS
Molecular Weight393.39 g/mol
Exact Mass393.09
IUPAC NameN-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C17H14F3N5OS/c1-9-15(27-24-22-9)16(26)21-11-4-6-12(7-5-11)25-13(10-2-3-10)8-14(23-25)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,21,26)
InChIKeyAFWWKCQISQJWEL-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.18
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
4-methyl-N-[4-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]phenyl]thiadiazole-5-carboxamide
CID 44588902
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-methyl-1,3-thiazole-5-carboxamide
CID 51353036
N-[4-(4-chloro-3,5-dicyclopropylpyrazol-1-yl)-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 51353178
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-methyl-1,3-thiazole-5-carboxamide
CID 51353497
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 57518329

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 51352912) is N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AFWWKCQISQJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS/c1-9-15(27-24-22-9)16(26)21-11-4-6-12(7-5-11)25-13(10-2-3-10)8-14(23-25)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,21,26).
What are the key properties of N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 51352912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).