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

C18H17F3N4OS — CID 75480196

IUPAC1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C(F)(F)F
InChIInChI=1S/C18H17F3N4OS/c1-4-25-15(18(19,20)21)13(9-22-25)16(26)24-17-23-14(11(3)27-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,23,24,26)
InChIKeyAILXXBDADVOUQY-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.91
Rot. Bonds4

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

1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 75480196) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID75480196
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C(F)(F)F
InChIInChI=1S/C18H17F3N4OS/c1-4-25-15(18(19,20)21)13(9-22-25)16(26)24-17-23-14(11(3)27-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,23,24,26)
InChIKeyAILXXBDADVOUQY-UHFFFAOYSA-N
XLogP4.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 75480196) is 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1C(F)(F)F.
What is the InChIKey of 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is AILXXBDADVOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-4-25-15(18(19,20)21)13(9-22-25)16(26)24-17-23-14(11(3)27-17)12-7-5-10(2)6-8-12/h5-9H,4H2,1-3H3,(H,23,24,26).
What are the key properties of 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75480196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).