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

C10H9BrN2O3 — CID 920228

IUPACmethyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C10H9BrN2O3/c1-15-10(14)9-3-2-8(16-9)6-13-5-7(11)4-12-13/h2-5H,6H2,1H3
InChIKeySKUOLQLWCCKMTD-UHFFFAOYSA-N
MW285.10 g/mol
LogP2.07
Rot. Bonds3

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

methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (PubChem CID 920228) has the molecular formula C10H9BrN2O3 and a molecular weight of 285.10 g/mol. Its IUPAC name is methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
PubChem CID920228
Molecular FormulaC10H9BrN2O3
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Namemethyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C10H9BrN2O3/c1-15-10(14)9-3-2-8(16-9)6-13-5-7(11)4-12-13/h2-5H,6H2,1H3
InChIKeySKUOLQLWCCKMTD-UHFFFAOYSA-N
XLogP2.07
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876049
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
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-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
methyl 5-[[4-[(4-bromo-1-ethyl-3-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3418415
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
tert-butyl (3S)-3-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]oxypyrrolidine-1-carboxylate
CID 86953647
methyl 2-amino-5-[2-(4-bromopyrazol-1-yl)ethyl]benzoate
CID 65435784
[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 56725942

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (CID 920228) is methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The InChIKey is SKUOLQLWCCKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3/c1-15-10(14)9-3-2-8(16-9)6-13-5-7(11)4-12-13/h2-5H,6H2,1H3.
What are the key properties of methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate has a molecular weight of 285.10 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 920228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).