ethyl 4-oxo-5-pyrazol-1-ylpentanoate

C10H14N2O3 — CID 103484644

IUPACethyl 4-oxo-5-pyrazol-1-ylpentanoate
SMILESCCOC(=O)CCC(=O)Cn1cccn1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)5-4-9(13)8-12-7-3-6-11-12/h3,6-7H,2,4-5,8H2,1H3
InChIKeyUCPPZMZMQCBRAQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.80
Rot. Bonds6

About ethyl 4-oxo-5-pyrazol-1-ylpentanoate

ethyl 4-oxo-5-pyrazol-1-ylpentanoate (PubChem CID 103484644) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 4-oxo-5-pyrazol-1-ylpentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-pyrazol-1-ylpentanoate
PubChem CID103484644
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 4-oxo-5-pyrazol-1-ylpentanoate
SMILESCCOC(=O)CCC(=O)Cn1cccn1
InChIInChI=1S/C10H14N2O3/c1-2-15-10(14)5-4-9(13)8-12-7-3-6-11-12/h3,6-7H,2,4-5,8H2,1H3
InChIKeyUCPPZMZMQCBRAQ-UHFFFAOYSA-N
XLogP0.80
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-iodopyrazol-1-yl)-4-oxopentanoate
CID 103484780
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
amino 2-pyrazol-1-ylacetate
CID 175809673
ethyl 2-[cyclopropyl-(2-pyrazol-1-ylacetyl)amino]acetate
CID 54984137
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
ethyl 2-bromo-3-pyrazol-1-ylpropanoate
CID 134975467
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
ethyl 5-(4-methyl-2-oxopyrimidin-1-yl)-4-oxopentanoate
CID 114217409
ethyl 5-(1,3-dioxoisoindol-2-yl)-4-oxo(513C)pentanoate
CID 10924265
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
benzene;4-ethoxy-4-oxobutanoic acid
CID 67333370
3,4,4-trifluorobut-3-enyl 2-pyrazol-1-ylacetate
CID 163220388

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-pyrazol-1-ylpentanoate?
The IUPAC name of ethyl 4-oxo-5-pyrazol-1-ylpentanoate (CID 103484644) is ethyl 4-oxo-5-pyrazol-1-ylpentanoate.
What is the SMILES notation for ethyl 4-oxo-5-pyrazol-1-ylpentanoate?
The canonical SMILES for ethyl 4-oxo-5-pyrazol-1-ylpentanoate is CCOC(=O)CCC(=O)Cn1cccn1.
What is the InChIKey of ethyl 4-oxo-5-pyrazol-1-ylpentanoate?
The InChIKey is UCPPZMZMQCBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-10(14)5-4-9(13)8-12-7-3-6-11-12/h3,6-7H,2,4-5,8H2,1H3.
What are the key properties of ethyl 4-oxo-5-pyrazol-1-ylpentanoate?
ethyl 4-oxo-5-pyrazol-1-ylpentanoate has a molecular weight of 210.23 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-pyrazol-1-ylpentanoate is sourced from PubChem (CID 103484644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).