methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate

C20H21N3O6 — CID 95748102

IUPACmethyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(COc2cccc(OC)c2)o1
InChIInChI=1S/C20H21N3O6/c1-12-17(18(20(25)27-4)22-23(12)2)21-19(24)16-9-8-15(29-16)11-28-14-7-5-6-13(10-14)26-3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyLKPAEOQKJBDSJJ-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.95
Rot. Bonds7

About methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate

methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 95748102) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
PubChem CID95748102
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Namemethyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(COc2cccc(OC)c2)o1
InChIInChI=1S/C20H21N3O6/c1-12-17(18(20(25)27-4)22-23(12)2)21-19(24)16-9-8-15(29-16)11-28-14-7-5-6-13(10-14)26-3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyLKPAEOQKJBDSJJ-UHFFFAOYSA-N
XLogP2.95
TPSA104.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate with MolForge

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Related Compounds

4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747738
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747745
propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19402731
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388
1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398338
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19412725
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400631
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19284185
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35523457
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate (CID 95748102) is methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)c1ccc(COc2cccc(OC)c2)o1.
What is the InChIKey of methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is LKPAEOQKJBDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-12-17(18(20(25)27-4)22-23(12)2)21-19(24)16-9-8-15(29-16)11-28-14-7-5-6-13(10-14)26-3/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 95748102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).