methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

C22H24N4O6 — CID 19584630

IUPACmethyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O6/c1-5-26-19(21(28)25(2)3)17(12-23-26)24-20(27)18-11-10-16(32-18)13-31-15-8-6-14(7-9-15)22(29)30-4/h6-12H,5,13H2,1-4H3,(H,24,27)
InChIKeyDYPHBVWYWMJBIR-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.82
Rot. Bonds8

About methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19584630) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19584630
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Namemethyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)c1C(=O)N(C)C
InChIInChI=1S/C22H24N4O6/c1-5-26-19(21(28)25(2)3)17(12-23-26)24-20(27)18-11-10-16(32-18)13-31-15-8-6-14(7-9-15)22(29)30-4/h6-12H,5,13H2,1-4H3,(H,24,27)
InChIKeyDYPHBVWYWMJBIR-UHFFFAOYSA-N
XLogP2.82
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19453358
methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19338688
methyl 1-ethyl-4-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19449114
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448946
5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19451030
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
methyl 4-[[5-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449147
methyl 4-[[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19337987
methyl 4-[[5-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19282861
dimethyl 5-[[5-[(4-ethylphenoxy)methyl]furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19415870

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19584630) is methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is CCn1ncc(NC(=O)c2ccc(COc3ccc(C(=O)OC)cc3)o2)c1C(=O)N(C)C.
What is the InChIKey of methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is DYPHBVWYWMJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-5-26-19(21(28)25(2)3)17(12-23-26)24-20(27)18-11-10-16(32-18)13-31-15-8-6-14(7-9-15)22(29)30-4/h6-12H,5,13H2,1-4H3,(H,24,27).
What are the key properties of methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 440.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19584630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).