ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

C19H18FN3O3S — CID 46436028

IUPACethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-3-14-11-15(19(25)26-4-2)18(27-14)21-17(24)16-9-10-23(22-16)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,21,24)
InChIKeyCWLLHNYWEYDYMC-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.06
Rot. Bonds6

About ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 46436028) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID46436028
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Nameethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-3-14-11-15(19(25)26-4-2)18(27-14)21-17(24)16-9-10-23(22-16)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,21,24)
InChIKeyCWLLHNYWEYDYMC-UHFFFAOYSA-N
XLogP4.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethyl-2-[[1-(4-fluorophenyl)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

Related Compounds

ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 51152378
ethyl 5-ethyl-2-[2-(4-fluorophenoxy)propanoylamino]thiophene-3-carboxylate
CID 43008127
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 62788622
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
1-[3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470652
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
ethyl 5-ethyl-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxylate
CID 1406514
ethyl 5-ethyl-2-[(3-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 43408258

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (CID 46436028) is ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is CWLLHNYWEYDYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-3-14-11-15(19(25)26-4-2)18(27-14)21-17(24)16-9-10-23(22-16)13-7-5-12(20)6-8-13/h5-11H,3-4H2,1-2H3,(H,21,24).
What are the key properties of ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 46436028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).