methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C15H15F4N3O3S — CID 1229825

IUPACmethyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C(F)F)sc(C)c1C
InChIInChI=1S/C15H15F4N3O3S/c1-6-7(2)26-14(11(6)15(24)25-3)20-10(23)5-22-9(13(18)19)4-8(21-22)12(16)17/h4,12-13H,5H2,1-3H3,(H,20,23)
InChIKeyCGDSVILKFAMXFU-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.86
Rot. Bonds6

About methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 1229825) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID1229825
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC Namemethyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C(F)F)sc(C)c1C
InChIInChI=1S/C15H15F4N3O3S/c1-6-7(2)26-14(11(6)15(24)25-3)20-10(23)5-22-9(13(18)19)4-8(21-22)12(16)17/h4,12-13H,5H2,1-3H3,(H,20,23)
InChIKeyCGDSVILKFAMXFU-UHFFFAOYSA-N
XLogP3.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-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

methyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}thiophene-3-carboxylate
CID 573359
Ethyl 4,5-dimethyl-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 1111137
ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
CID 996760
isopropyl 4,5-dimethyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-thiophenecarboxylate
CID 1022829
diethyl 3-methyl-5-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-2,4-thiophenedicarboxylate
CID 1100790
ethyl 2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1111138
4,5-Dimethyl-2-{2-[5-methyl-3-(trifluoromethyl)pyrazolyl]acetylamino}thiophene-3-carboxamide
CID 1284250
Ethyl 5-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 2086975
diethyl 5-({[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate
CID 1100797
ethyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3-thiophenecarboxylate
CID 747857
diethyl 3-methyl-5-(1-methyl-1H-pyrazole-5-carboxamido)thiophene-2,4-dicarboxylate
CID 995667
Dimethyl 5-[(1-ethylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1084321

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 1229825) is methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)Cn2nc(C(F)F)cc2C(F)F)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is CGDSVILKFAMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-6-7(2)26-14(11(6)15(24)25-3)20-10(23)5-22-9(13(18)19)4-8(21-22)12(16)17/h4,12-13H,5H2,1-3H3,(H,20,23).
What are the key properties of methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 393.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 1229825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).