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

C21H16F3N5OS — CID 90448785

IUPAC1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccn(Cc2ccccn2)n1
InChIInChI=1S/C21H16F3N5OS/c22-21(23,24)15-6-4-14(5-7-15)11-17-12-26-20(31-17)27-19(30)18-8-10-29(28-18)13-16-3-1-2-9-25-16/h1-10,12H,11,13H2,(H,26,27,30)
InChIKeyVDTBVLCEFWLDRL-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.64
Rot. Bonds6

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

1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 90448785) has the molecular formula C21H16F3N5OS and a molecular weight of 443.45 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID90448785
Molecular FormulaC21H16F3N5OS
Molecular Weight443.45 g/mol
Exact Mass443.10
IUPAC Name1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccn(Cc2ccccn2)n1
InChIInChI=1S/C21H16F3N5OS/c22-21(23,24)15-6-4-14(5-7-15)11-17-12-26-20(31-17)27-19(30)18-8-10-29(28-18)13-16-3-1-2-9-25-16/h1-10,12H,11,13H2,(H,26,27,30)
InChIKeyVDTBVLCEFWLDRL-UHFFFAOYSA-N
XLogP4.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 90448785) is 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccn(Cc2ccccn2)n1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is VDTBVLCEFWLDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5OS/c22-21(23,24)15-6-4-14(5-7-15)11-17-12-26-20(31-17)27-19(30)18-8-10-29(28-18)13-16-3-1-2-9-25-16/h1-10,12H,11,13H2,(H,26,27,30).
What are the key properties of 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90448785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).