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

C16H13F3N4O2S — CID 1488491

IUPAC1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2S/c1-20-14(24)11-7-21-23(13(11)16(17,18)19)15-22-12(8-26-15)9-3-5-10(25-2)6-4-9/h3-8H,1-2H3,(H,20,24)
InChIKeyZQIDWPHXGSPJPL-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.38
Rot. Bonds4

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

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 1488491) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID1488491
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2S/c1-20-14(24)11-7-21-23(13(11)16(17,18)19)15-22-12(8-26-15)9-3-5-10(25-2)6-4-9/h3-8H,1-2H3,(H,20,24)
InChIKeyZQIDWPHXGSPJPL-UHFFFAOYSA-N
XLogP3.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-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-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 1488491) is 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CNC(=O)c1cnn(-c2nc(-c3ccc(OC)cc3)cs2)c1C(F)(F)F.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZQIDWPHXGSPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-20-14(24)11-7-21-23(13(11)16(17,18)19)15-22-12(8-26-15)9-3-5-10(25-2)6-4-9/h3-8H,1-2H3,(H,20,24).
What are the key properties of 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1488491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).