(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate

C17H15BrN2O4 — CID 86876049

IUPAC(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C17H15BrN2O4/c1-22-14-4-2-12(3-5-14)11-23-17(21)16-7-6-15(24-16)10-20-9-13(18)8-19-20/h2-9H,10-11H2,1H3
InChIKeyFYHVZOCUKVWQKU-UHFFFAOYSA-N
MW391.22 g/mol
LogP3.65
Rot. Bonds6

About (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate

(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (PubChem CID 86876049) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
PubChem CID86876049
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C17H15BrN2O4/c1-22-14-4-2-12(3-5-14)11-23-17(21)16-7-6-15(24-16)10-20-9-13(18)8-19-20/h2-9H,10-11H2,1H3
InChIKeyFYHVZOCUKVWQKU-UHFFFAOYSA-N
XLogP3.65
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86947563
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
methyl 4-[[5-[2-(4-bromopyrazol-1-yl)ethylcarbamoyl]furan-2-yl]methoxy]benzoate
CID 19282861
tert-butyl (3S)-3-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]oxypyrrolidine-1-carboxylate
CID 86953647
methyl 4-[[5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449071

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (CID 86876049) is (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is COc1ccc(COC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The InChIKey is FYHVZOCUKVWQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-22-14-4-2-12(3-5-14)11-23-17(21)16-7-6-15(24-16)10-20-9-13(18)8-19-20/h2-9H,10-11H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate has a molecular weight of 391.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 86876049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).