ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate

C17H23N3O4 — CID 122244712

IUPACethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCn1nc(C)c(-c2ccco2)c1C
InChIInChI=1S/C17H23N3O4/c1-4-23-16(22)8-7-15(21)18-9-10-20-13(3)17(12(2)19-20)14-6-5-11-24-14/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyPIGMXYXOJFZUAJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.22
Rot. Bonds8

About ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate

ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate (PubChem CID 122244712) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate
PubChem CID122244712
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCCn1nc(C)c(-c2ccco2)c1C
InChIInChI=1S/C17H23N3O4/c1-4-23-16(22)8-7-15(21)18-9-10-20-13(3)17(12(2)19-20)14-6-5-11-24-14/h5-6,11H,4,7-10H2,1-3H3,(H,18,21)
InChIKeyPIGMXYXOJFZUAJ-UHFFFAOYSA-N
XLogP2.22
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate with MolForge

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Related Compounds

2-benzylsulfanyl-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]acetamide
CID 122266969
5-chloro-N-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethyl]thiophene-2-carboxamide
CID 122244688
ethyl 4-(2-methylsulfanylethylamino)-4-oxobutanoate
CID 60637595
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 61140986
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121084092
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122244472
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
ethyl 5-(furan-2-ylmethylsulfanyl)-4-oxopentanoate
CID 103485680
ethyl 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6401510

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate (CID 122244712) is ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCCn1nc(C)c(-c2ccco2)c1C.
What is the InChIKey of ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate?
The InChIKey is PIGMXYXOJFZUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-4-23-16(22)8-7-15(21)18-9-10-20-13(3)17(12(2)19-20)14-6-5-11-24-14/h5-6,11H,4,7-10H2,1-3H3,(H,18,21).
What are the key properties of ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate?
ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate has a molecular weight of 333.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(furan-2-yl)-3,5-dimethylpyrazol-1-yl]ethylamino]-4-oxobutanoate is sourced from PubChem (CID 122244712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).