methyl 4-hydroxy-1-methylpyrazole-5-carboxylate

C6H8N2O3 — CID 131378895

IUPACmethyl 4-hydroxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(O)cnn1C
InChIInChI=1S/C6H8N2O3/c1-8-5(6(10)11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyFKCNLKCSTXVEIA-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.09
Rot. Bonds1

About methyl 4-hydroxy-1-methylpyrazole-5-carboxylate

methyl 4-hydroxy-1-methylpyrazole-5-carboxylate (PubChem CID 131378895) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is methyl 4-hydroxy-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-methylpyrazole-5-carboxylate
PubChem CID131378895
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Namemethyl 4-hydroxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(O)cnn1C
InChIInChI=1S/C6H8N2O3/c1-8-5(6(10)11-2)4(9)3-7-8/h3,9H,1-2H3
InChIKeyFKCNLKCSTXVEIA-UHFFFAOYSA-N
XLogP-0.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-methylpyrazole-5-carboxylate (CID 131378895) is methyl 4-hydroxy-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-methylpyrazole-5-carboxylate is COC(=O)c1c(O)cnn1C.
What is the InChIKey of methyl 4-hydroxy-1-methylpyrazole-5-carboxylate?
The InChIKey is FKCNLKCSTXVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-8-5(6(10)11-2)4(9)3-7-8/h3,9H,1-2H3.
What are the key properties of methyl 4-hydroxy-1-methylpyrazole-5-carboxylate?
methyl 4-hydroxy-1-methylpyrazole-5-carboxylate has a molecular weight of 156.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 131378895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).