ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate

C15H17N3O3 — CID 107344933

IUPACethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2COc3ccccc32)cc1N
InChIInChI=1S/C15H17N3O3/c1-2-20-15(19)14-12(16)8-18(17-14)7-10-9-21-13-6-4-3-5-11(10)13/h3-6,8,10H,2,7,9,16H2,1H3
InChIKeyFTLSLSMBGXGZLZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.82
Rot. Bonds4

About ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate (PubChem CID 107344933) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
PubChem CID107344933
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CC2COc3ccccc32)cc1N
InChIInChI=1S/C15H17N3O3/c1-2-20-15(19)14-12(16)8-18(17-14)7-10-9-21-13-6-4-3-5-11(10)13/h3-6,8,10H,2,7,9,16H2,1H3
InChIKeyFTLSLSMBGXGZLZ-UHFFFAOYSA-N
XLogP1.82
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate (CID 107344933) is ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(CC2COc3ccccc32)cc1N.
What is the InChIKey of ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate?
The InChIKey is FTLSLSMBGXGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-20-15(19)14-12(16)8-18(17-14)7-10-9-21-13-6-4-3-5-11(10)13/h3-6,8,10H,2,7,9,16H2,1H3.
What are the key properties of ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107344933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).