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

C13H15F3N4OS — CID 71993367

IUPAC2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-20-9(6-8(2)19-20)12(21)17-5-4-11-18-10(7-22-11)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,21)
InChIKeyRWPVSNDAANBYAB-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.66
Rot. Bonds5

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

2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide (PubChem CID 71993367) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide
PubChem CID71993367
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-20-9(6-8(2)19-20)12(21)17-5-4-11-18-10(7-22-11)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,21)
InChIKeyRWPVSNDAANBYAB-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
CID 71993376
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]azepane-1-carboxamide
CID 71867571
2-methyl-N-[2-[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]ethyl]propanamide
CID 111688602
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615840
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-butan-2-yl-3-[[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111688025
N,N-diethyl-4-[[[N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]methyl]benzamide
CID 111689362
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide (CID 71993367) is 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide?
The InChIKey is RWPVSNDAANBYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-3-20-9(6-8(2)19-20)12(21)17-5-4-11-18-10(7-22-11)13(14,15)16/h6-7H,3-5H2,1-2H3,(H,17,21).
What are the key properties of 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71993367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).