propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

C15H15F3N4O4S — CID 19508140

IUPACpropyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc(C(N)=O)c1C
InChIInChI=1S/C15H15F3N4O4S/c1-3-4-26-14(25)9-6(2)10(11(19)23)27-13(9)20-12(24)7-5-8(22-21-7)15(16,17)18/h5H,3-4H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyJFLKVRNBJAVYAL-UHFFFAOYSA-N
MW404.37 g/mol
LogP2.72
Rot. Bonds6

About propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19508140) has the molecular formula C15H15F3N4O4S and a molecular weight of 404.37 g/mol. Its IUPAC name is propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19508140
Molecular FormulaC15H15F3N4O4S
Molecular Weight404.37 g/mol
Exact Mass404.08
IUPAC Namepropyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc(C(N)=O)c1C
InChIInChI=1S/C15H15F3N4O4S/c1-3-4-26-14(25)9-6(2)10(11(19)23)27-13(9)20-12(24)7-5-8(22-21-7)15(16,17)18/h5H,3-4H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyJFLKVRNBJAVYAL-UHFFFAOYSA-N
XLogP2.72
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate 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 propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (CID 19508140) is propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is CCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)[nH]n2)sc(C(N)=O)c1C.
What is the InChIKey of propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is JFLKVRNBJAVYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O4S/c1-3-4-26-14(25)9-6(2)10(11(19)23)27-13(9)20-12(24)7-5-8(22-21-7)15(16,17)18/h5H,3-4H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 404.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-carbamoyl-4-methyl-2-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19508140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).