methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate

C19H18N2O5 — CID 8553043

IUPACmethyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(-n3nccc3C)cc2)oc1C
InChIInChI=1S/C19H18N2O5/c1-12-8-9-20-21(12)15-6-4-14(5-7-15)18(22)25-11-16-10-17(13(2)26-16)19(23)24-3/h4-10H,11H2,1-3H3
InChIKeyVZTMERDKWBKRLK-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.23
Rot. Bonds5

About methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate

methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate (PubChem CID 8553043) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
PubChem CID8553043
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Namemethyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(COC(=O)c2ccc(-n3nccc3C)cc2)oc1C
InChIInChI=1S/C19H18N2O5/c1-12-8-9-20-21(12)15-6-4-14(5-7-15)18(22)25-11-16-10-17(13(2)26-16)19(23)24-3/h4-10H,11H2,1-3H3
InChIKeyVZTMERDKWBKRLK-UHFFFAOYSA-N
XLogP3.23
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8553467
(2-cyanophenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 8641051
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2098215
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methylpyrazine-2-carboxylate
CID 18777229
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581477
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 78767749
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate (CID 8553043) is methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate is COC(=O)c1cc(COC(=O)c2ccc(-n3nccc3C)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate?
The InChIKey is VZTMERDKWBKRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12-8-9-20-21(12)15-6-4-14(5-7-15)18(22)25-11-16-10-17(13(2)26-16)19(23)24-3/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate?
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate has a molecular weight of 354.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 8553043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).