methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate

C17H14ClN3O4 — CID 3153926

IUPACmethyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22)
InChIKeyFECNTIVLPGTOJD-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.22
Rot. Bonds5

About methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate

methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate (PubChem CID 3153926) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
PubChem CID3153926
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Namemethyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1
InChIInChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22)
InChIKeyFECNTIVLPGTOJD-UHFFFAOYSA-N
XLogP3.22
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate (CID 3153926) is methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1.
What is the InChIKey of methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
The InChIKey is FECNTIVLPGTOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-24-17(23)13-4-2-3-5-14(13)20-16(22)15-7-6-12(25-15)10-21-9-11(18)8-19-21/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate?
methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate has a molecular weight of 359.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 3153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).