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

C10H9ClN2O3 — CID 914296

IUPACmethyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C10H9ClN2O3/c1-15-10(14)9-3-2-8(16-9)6-13-5-7(11)4-12-13/h2-5H,6H2,1H3
InChIKeyMCOYWDJPRLEYGV-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.96
Rot. Bonds3

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

methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate (PubChem CID 914296) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate
PubChem CID914296
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Namemethyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C10H9ClN2O3/c1-15-10(14)9-3-2-8(16-9)6-13-5-7(11)4-12-13/h2-5H,6H2,1H3
InChIKeyMCOYWDJPRLEYGV-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate (CID 914296) is methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(Cn2cc(Cl)cn2)o1.
What is the InChIKey of methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate?
The InChIKey is MCOYWDJPRLEYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/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-chloropyrazol-1-yl)methyl]furan-2-carboxylate?
methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate has a molecular weight of 240.65 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 914296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).