methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate

C18H14Cl3N3O5 — CID 19342140

IUPACmethyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C
InChIInChI=1S/C18H14Cl3N3O5/c1-24-15(18(26)27-2)13(7-22-24)23-17(25)14-4-3-10(29-14)8-28-16-11(20)5-9(19)6-12(16)21/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyBTQYNGBFNLCJMT-UHFFFAOYSA-N
MW458.69 g/mol
LogP4.59
Rot. Bonds6

About methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate

methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate (PubChem CID 19342140) has the molecular formula C18H14Cl3N3O5 and a molecular weight of 458.69 g/mol. Its IUPAC name is methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
PubChem CID19342140
Molecular FormulaC18H14Cl3N3O5
Molecular Weight458.69 g/mol
Exact Mass457.00
IUPAC Namemethyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C
InChIInChI=1S/C18H14Cl3N3O5/c1-24-15(18(26)27-2)13(7-22-24)23-17(25)14-4-3-10(29-14)8-28-16-11(20)5-9(19)6-12(16)21/h3-7H,8H2,1-2H3,(H,23,25)
InChIKeyBTQYNGBFNLCJMT-UHFFFAOYSA-N
XLogP4.59
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.69
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate with MolForge

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Related Compounds

1-methyl-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19412346
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126
methyl 1-methyl-4-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342224
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19292559
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[[5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19336643
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19336893
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415586
N-(1-methylbenzimidazol-2-yl)-5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxamide
CID 19415493
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336639
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19338688
1-methyl-4-[[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19405995

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate (CID 19342140) is methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate?
The InChIKey is BTQYNGBFNLCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O5/c1-24-15(18(26)27-2)13(7-22-24)23-17(25)14-4-3-10(29-14)8-28-16-11(20)5-9(19)6-12(16)21/h3-7H,8H2,1-2H3,(H,23,25).
What are the key properties of methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate?
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate has a molecular weight of 458.69 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate is sourced from PubChem (CID 19342140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).