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

C19H15F3N6OS — CID 55577902

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)s1
InChIInChI=1S/C19H15F3N6OS/c1-2-15-25-26-18(30-15)24-16(29)14-11-23-28(17(14)27-8-3-4-9-27)13-7-5-6-12(10-13)19(20,21)22/h3-11H,2H2,1H3,(H,24,26,29)
InChIKeyROOFRHZMGOZDLR-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.35
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55577902) has the molecular formula C19H15F3N6OS and a molecular weight of 432.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID55577902
Molecular FormulaC19H15F3N6OS
Molecular Weight432.43 g/mol
Exact Mass432.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)s1
InChIInChI=1S/C19H15F3N6OS/c1-2-15-25-26-18(30-15)24-16(29)14-11-23-28(17(14)27-8-3-4-9-27)13-7-5-6-12(10-13)19(20,21)22/h3-11H,2H2,1H3,(H,24,26,29)
InChIKeyROOFRHZMGOZDLR-UHFFFAOYSA-N
XLogP4.35
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
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CID 39898328
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 6484584
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55922112
N-(4-ethylphenyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 31808268
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 3889750
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
5-methyl-N-[4-(propanoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55788013
(4-methyl-1,4-diazepan-1-yl)-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 55577902) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCc1nnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2-n2cccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ROOFRHZMGOZDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6OS/c1-2-15-25-26-18(30-15)24-16(29)14-11-23-28(17(14)27-8-3-4-9-27)13-7-5-6-12(10-13)19(20,21)22/h3-11H,2H2,1H3,(H,24,26,29).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 432.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55577902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).