1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide

C13H15F3N4OS — CID 95906713

IUPAC1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cnn(CC)c1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(7-22-12)13(14,15)16)18-11(21)8-5-17-20(4-2)6-8/h5-7,9H,3-4H2,1-2H3,(H,18,21)/t9-/m0/s1
InChIKeyHPFXTGFOUHYKAN-VIFPVBQESA-N
MW332.35 g/mol
LogP3.26
Rot. Bonds5

About 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide

1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide (PubChem CID 95906713) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
PubChem CID95906713
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC Name1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1cnn(CC)c1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(7-22-12)13(14,15)16)18-11(21)8-5-17-20(4-2)6-8/h5-7,9H,3-4H2,1-2H3,(H,18,21)/t9-/m0/s1
InChIKeyHPFXTGFOUHYKAN-VIFPVBQESA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]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-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide (CID 95906713) is 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide is CC[C@H](NC(=O)c1cnn(CC)c1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
The InChIKey is HPFXTGFOUHYKAN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-3-9(12-19-10(7-22-12)13(14,15)16)18-11(21)8-5-17-20(4-2)6-8/h5-7,9H,3-4H2,1-2H3,(H,18,21)/t9-/m0/s1.
What are the key properties of 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).