ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate

C10H16N2O3 — CID 14458249

IUPACethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
SMILESCCOC(=O)CC1=NN(C(C)C)C(=O)C1
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)6-8-5-9(13)12(11-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyGYHZXNFVYGWGLU-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.94
Rot. Bonds4

About ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate

ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate (PubChem CID 14458249) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
PubChem CID14458249
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate
SMILESCCOC(=O)CC1=NN(C(C)C)C(=O)C1
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)6-8-5-9(13)12(11-8)7(2)3/h7H,4-6H2,1-3H3
InChIKeyGYHZXNFVYGWGLU-UHFFFAOYSA-N
XLogP0.94
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate (CID 14458249) is ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate is CCOC(=O)CC1=NN(C(C)C)C(=O)C1.
What is the InChIKey of ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate?
The InChIKey is GYHZXNFVYGWGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-10(14)6-8-5-9(13)12(11-8)7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate?
ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-1-propan-2-yl-4H-pyrazol-3-yl)acetate is sourced from PubChem (CID 14458249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).