ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate

C7H10N2O3 — CID 11389644

IUPACethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)8-9-6(5)10/h3H2,1-2H3,(H2,8,9,10)
InChIKeyCWADBBSOZFXYQV-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.19
Rot. Bonds2

About ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate

ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate (PubChem CID 11389644) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
PubChem CID11389644
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)[nH][nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)8-9-6(5)10/h3H2,1-2H3,(H2,8,9,10)
InChIKeyCWADBBSOZFXYQV-UHFFFAOYSA-N
XLogP0.19
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 45140710
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 3-oxo-5-(2-phenylethyl)-1,2-dihydropyrazole-4-carboxylate
CID 11129045
methyl 3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-oxopropanoate
CID 82658079
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
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ethyl 6-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 54738298
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate;molecular hydrogen
CID 144616781
ethyl 3-(2-amino-4-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylate
CID 21473963
diethyl 6-methyl-5-nitro-2-oxo-1H-pyridine-3,4-dicarboxylate
CID 19935590
ethyl 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzoate
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ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate (CID 11389644) is ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate is CCOC(=O)c1c(C)[nH][nH]c1=O.
What is the InChIKey of ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate?
The InChIKey is CWADBBSOZFXYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-3-12-7(11)5-4(2)8-9-6(5)10/h3H2,1-2H3,(H2,8,9,10).
What are the key properties of ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate?
ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate is sourced from PubChem (CID 11389644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).