ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate

C7H10N2O3 — CID 43831447

IUPACethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C7H10N2O3/c1-2-12-7(11)4-5-3-6(10)9-8-5/h3H,2,4H2,1H3,(H2,8,9,10)
InChIKeyPQKVTISYHNBZSE-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.19
Rot. Bonds3

About ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate

ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate (PubChem CID 43831447) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate
PubChem CID43831447
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C7H10N2O3/c1-2-12-7(11)4-5-3-6(10)9-8-5/h3H,2,4H2,1H3,(H2,8,9,10)
InChIKeyPQKVTISYHNBZSE-UHFFFAOYSA-N
XLogP-0.19
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetic acid
CID 16765315
methyl 2-(3-hydroxy-1H-pyrazol-5-yl)acetate
CID 322984
methyl 2-(1-tert-butyl-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate
CID 4962222
1-Methyl-3-methoxycarbonylmethyl-5-hydroxypyrazole
CID 21493500
Ethyl 3-(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)propanoate
CID 54090984
Ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)propanoate
CID 70254216
methyl (3-hydroxy-1-methyl-1H-pyrazol-5-yl)acetate
CID 85888987
ethyl (Z)-3,5-diamino-5-oxopent-3-enoate
CID 89255720
methyl 2-(2-methyl-3-oxo-1H-pyrazol-5-yl)propanoate
CID 90892396
Ethyl acetate;5-methyl-1,2-dihydropyrazol-3-one
CID 158282258
2-(5-Oxo-1,2-dihydropyrazol-3-yl)ethyl formate
CID 174485974
2-(5-Oxo-1,2-dihydropyrazol-3-yl)acetate
CID 17862391

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate (CID 43831447) is ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate is CCOC(=O)Cc1cc(=O)[nH][nH]1.
What is the InChIKey of ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate?
The InChIKey is PQKVTISYHNBZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-12-7(11)4-5-3-6(10)9-8-5/h3H,2,4H2,1H3,(H2,8,9,10).
What are the key properties of ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate?
ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-oxo-1,2-dihydropyrazol-3-yl)acetate is sourced from PubChem (CID 43831447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).