ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

C17H17N3O4S — CID 19513885

IUPACethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)[nH]n2)sc(C)c1C
InChIInChI=1S/C17H17N3O4S/c1-4-23-17(22)14-9(2)10(3)25-16(14)18-15(21)12-8-11(19-20-12)13-6-5-7-24-13/h5-8H,4H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIXOATUWVKYPEEB-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.78
Rot. Bonds5

About ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 19513885) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID19513885
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Nameethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)[nH]n2)sc(C)c1C
InChIInChI=1S/C17H17N3O4S/c1-4-23-17(22)14-9(2)10(3)25-16(14)18-15(21)12-8-11(19-20-12)13-6-5-7-24-13/h5-8H,4H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyIXOATUWVKYPEEB-UHFFFAOYSA-N
XLogP3.78
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
propan-2-yl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19513845
ethyl 2-[[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 15988641
[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 2680648
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
2-O-ethyl 4-O-propan-2-yl 3-methyl-5-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CID 19509051
ethyl 4,5-dimethyl-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 103859661
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 19513885) is ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(-c3ccco3)[nH]n2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is IXOATUWVKYPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-4-23-17(22)14-9(2)10(3)25-16(14)18-15(21)12-8-11(19-20-12)13-6-5-7-24-13/h5-8H,4H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 359.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 19513885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).