[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

C18H17N3O4 — CID 32932137

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NCc1ccco1
InChIInChI=1S/C18H17N3O4/c22-17(19-11-16-7-4-8-24-16)13-25-18(23)9-14-10-20-21(12-14)15-5-2-1-3-6-15/h1-8,10,12H,9,11,13H2,(H,19,22)
InChIKeyMRSGPKYYFHOJQH-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.87
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32932137) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32932137
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESO=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NCc1ccco1
InChIInChI=1S/C18H17N3O4/c22-17(19-11-16-7-4-8-24-16)13-25-18(23)9-14-10-20-21(12-14)15-5-2-1-3-6-15/h1-8,10,12H,9,11,13H2,(H,19,22)
InChIKeyMRSGPKYYFHOJQH-UHFFFAOYSA-N
XLogP1.87
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[2-(1-phenylpyrazol-4-yl)acetyl]oxyacetyl]amino]butanoate
CID 31022629
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022186
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
1-ethyl-3-(furan-2-ylmethyl)-2-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 110938804
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329386
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111353921
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32932137) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is O=C(COC(=O)Cc1cnn(-c2ccccc2)c1)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is MRSGPKYYFHOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-17(19-11-16-7-4-8-24-16)13-25-18(23)9-14-10-20-21(12-14)15-5-2-1-3-6-15/h1-8,10,12H,9,11,13H2,(H,19,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 339.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32932137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).