methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate

C15H13N3O3 — CID 162665882

IUPACmethyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2nc(-c3ccco3)cc2N)cc1
InChIInChI=1S/C15H13N3O3/c1-20-15(19)10-4-6-11(7-5-10)18-14(16)9-12(17-18)13-3-2-8-21-13/h2-9H,16H2,1H3
InChIKeyCKYRQRCQUDZFGL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.50
Rot. Bonds3

About methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate

methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate (PubChem CID 162665882) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
PubChem CID162665882
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2nc(-c3ccco3)cc2N)cc1
InChIInChI=1S/C15H13N3O3/c1-20-15(19)10-4-6-11(7-5-10)18-14(16)9-12(17-18)13-3-2-8-21-13/h2-9H,16H2,1H3
InChIKeyCKYRQRCQUDZFGL-UHFFFAOYSA-N
XLogP2.50
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate?
The IUPAC name of methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate (CID 162665882) is methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate.
What is the SMILES notation for methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate?
The canonical SMILES for methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate is COC(=O)c1ccc(-n2nc(-c3ccco3)cc2N)cc1.
What is the InChIKey of methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate?
The InChIKey is CKYRQRCQUDZFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-15(19)10-4-6-11(7-5-10)18-14(16)9-12(17-18)13-3-2-8-21-13/h2-9H,16H2,1H3.
What are the key properties of methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate?
methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate has a molecular weight of 283.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate is sourced from PubChem (CID 162665882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).