ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate

C13H19N3O4 — CID 97428021

IUPACethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)4-3-12(17)15-10-7-14-16(8-10)11-5-6-19-9-11/h7-8,11H,2-6,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyVRLLHOJCUUIKSS-LLVKDONJSA-N
MW281.31 g/mol
LogP1.13
Rot. Bonds6

About ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate

ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate (PubChem CID 97428021) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
PubChem CID97428021
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C13H19N3O4/c1-2-20-13(18)4-3-12(17)15-10-7-14-16(8-10)11-5-6-19-9-11/h7-8,11H,2-6,9H2,1H3,(H,15,17)/t11-/m1/s1
InChIKeyVRLLHOJCUUIKSS-LLVKDONJSA-N
XLogP1.13
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate with MolForge

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Related Compounds

2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 99903598
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428055
1-(4-butoxyphenyl)-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719654
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 97428103
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate (CID 97428021) is ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate is CCOC(=O)CCC(=O)Nc1cnn([C@@H]2CCOC2)c1.
What is the InChIKey of ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate?
The InChIKey is VRLLHOJCUUIKSS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-20-13(18)4-3-12(17)15-10-7-14-16(8-10)11-5-6-19-9-11/h7-8,11H,2-6,9H2,1H3,(H,15,17)/t11-/m1/s1.
What are the key properties of ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate?
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate has a molecular weight of 281.31 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate is sourced from PubChem (CID 97428021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).