methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate

C11H15N3O4 — CID 168662940

IUPACmethyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(CO)CC1=O
InChIInChI=1S/C11H15N3O4/c1-13-10(8(4-12-13)11(17)18-2)14-5-7(6-15)3-9(14)16/h4,7,15H,3,5-6H2,1-2H3
InChIKeyDTTIPPQFOOVOPF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.45
Rot. Bonds3

About methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate

methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate (PubChem CID 168662940) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
PubChem CID168662940
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C)c1N1CC(CO)CC1=O
InChIInChI=1S/C11H15N3O4/c1-13-10(8(4-12-13)11(17)18-2)14-5-7(6-15)3-9(14)16/h4,7,15H,3,5-6H2,1-2H3
InChIKeyDTTIPPQFOOVOPF-UHFFFAOYSA-N
XLogP-0.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 168657056
methyl 5-(4-chloro-2-oxopyrrolidin-1-yl)-1-methylpyrazole-4-carboxylate
CID 168688443
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylate
CID 168662324
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168662305
methyl 2-chloro-5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662286
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
methyl 5-chloro-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168507331
methyl 4-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168504056
methyl 3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-methoxybenzoate
CID 168662302
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
methyl 3-chloro-4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168662293
methyl 4-ethyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-methylthiophene-3-carboxylate
CID 168662189

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate (CID 168662940) is methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cnn(C)c1N1CC(CO)CC1=O.
What is the InChIKey of methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
The InChIKey is DTTIPPQFOOVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13-10(8(4-12-13)11(17)18-2)14-5-7(6-15)3-9(14)16/h4,7,15H,3,5-6H2,1-2H3.
What are the key properties of methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate?
methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 168662940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).