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

C10H16N2O3 — CID 66022154

IUPACethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C(C)C)cc1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)6-12-9(13)5-8(11-12)7(2)3/h5,7,11H,4,6H2,1-3H3
InChIKeyJRRCIVOBBXPXNO-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.86
Rot. Bonds4

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

ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate (PubChem CID 66022154) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate
PubChem CID66022154
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c(C(C)C)cc1=O
InChIInChI=1S/C10H16N2O3/c1-4-15-10(14)6-12-9(13)5-8(11-12)7(2)3/h5,7,11H,4,6H2,1-3H3
InChIKeyJRRCIVOBBXPXNO-UHFFFAOYSA-N
XLogP0.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)acetate
CID 21501940
ethyl 2-[5-(difluoromethyl)-3-oxo-1H-pyrazol-2-yl]acetate
CID 66022558
2-(5-methyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 20295815
ethyl 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022358
1-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 70488344
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)ethyl acetate
CID 70488346
tert-butyl 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetate
CID 138602583
ethyl 2-(3-methyl-5-oxo-1H-pyrazol-2-yl)acetate
CID 170435321
2-methylpropyl 3-(5-ethyl-3-oxo-1H-pyrazol-2-yl)propanoate
CID 170618203
ethyl 2-(3-ethyl-5-oxo-1H-pyrazol-2-yl)acetate
CID 175406282
ethyl 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)acetate
CID 66022153
ethyl 2-(5-tert-butyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022155

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate (CID 66022154) is ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate is CCOC(=O)Cn1[nH]c(C(C)C)cc1=O.
What is the InChIKey of ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate?
The InChIKey is JRRCIVOBBXPXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-10(14)6-12-9(13)5-8(11-12)7(2)3/h5,7,11H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate?
ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-5-propan-2-yl-1H-pyrazol-2-yl)acetate is sourced from PubChem (CID 66022154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).