5-[4-(2-Chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-furan-2-carboxylic acid methyl ester

HCID 3334740
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Basic information

Standard SMILES
COC(=O)c1ccc(Cn2cc(NC(=O)OCc3ccccc3Cl)cn2)o1
InChIKey
XQQNOQVYVAUSFV-UHFFFAOYSA-N
Molecular formula
C18H16ClN3O5
Average molar mass
389.8 g/mol
Monoisotopic mass
389.0778483

Names & identifiers

Preferred name
5-[4-(2-Chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-furan-2-carboxylic acid methyl ester
IUPAC
methyl 5-[[4-[(2-chlorophenyl)methoxycarbonylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Names & synonyms

SCHEMBL1166783XQQNOQVYVAUSFV-UHFFFAOYSA-NAB00039589-015-[4-(2-chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-furan-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
3334740

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
95.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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5-[4-(2-Chloro-benzyloxycarbonylamino)-pyrazol-1-ylmethyl]-furan-2-carboxylic acid methyl ester (HCID 3334740)｜Huagongshe