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

C19H19F3N4OS — CID 46970324

IUPAC5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1C
InChIInChI=1S/C19H19F3N4OS/c1-3-7-26-12(2)16(11-24-26)17(27)25-18-23-10-15(28-18)9-13-5-4-6-14(8-13)19(20,21)22/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,23,25,27)
InChIKeyVPYDVLFBGPHAOJ-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.92
Rot. Bonds6

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

5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 46970324) has the molecular formula C19H19F3N4OS and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID46970324
Molecular FormulaC19H19F3N4OS
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1C
InChIInChI=1S/C19H19F3N4OS/c1-3-7-26-12(2)16(11-24-26)17(27)25-18-23-10-15(28-18)9-13-5-4-6-14(8-13)19(20,21)22/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,23,25,27)
InChIKeyVPYDVLFBGPHAOJ-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 46970324) is 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is VPYDVLFBGPHAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4OS/c1-3-7-26-12(2)16(11-24-26)17(27)25-18-23-10-15(28-18)9-13-5-4-6-14(8-13)19(20,21)22/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,23,25,27).
What are the key properties of 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 46970324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).