3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide

C16H19F3N4OS — CID 19540115

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C
InChIInChI=1S/C16H19F3N4OS/c1-8(14(24)21-15-20-9(2)10(3)25-15)7-23-12(11-4-5-11)6-13(22-23)16(17,18)19/h6,8,11H,4-5,7H2,1-3H3,(H,20,21,24)
InChIKeyKDTPLDSQJRQNTG-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.13
Rot. Bonds5

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide (PubChem CID 19540115) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
PubChem CID19540115
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C
InChIInChI=1S/C16H19F3N4OS/c1-8(14(24)21-15-20-9(2)10(3)25-15)7-23-12(11-4-5-11)6-13(22-23)16(17,18)19/h6,8,11H,4-5,7H2,1-3H3,(H,20,21,24)
InChIKeyKDTPLDSQJRQNTG-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide 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 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide (CID 19540115) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide is Cc1nc(NC(=O)C(C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1C.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
The InChIKey is KDTPLDSQJRQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-8(14(24)21-15-20-9(2)10(3)25-15)7-23-12(11-4-5-11)6-13(22-23)16(17,18)19/h6,8,11H,4-5,7H2,1-3H3,(H,20,21,24).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide has a molecular weight of 372.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 19540115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).