1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid

C10H13N3O3 — CID 71071573

IUPAC1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid
SMILESCn1nc(CN2CCCC2=O)cc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-12-8(10(15)16)5-7(11-12)6-13-4-2-3-9(13)14/h5H,2-4,6H2,1H3,(H,15,16)
InChIKeyQNYQXEHNJPJFEG-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.24
Rot. Bonds3

About 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid

1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid (PubChem CID 71071573) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid
PubChem CID71071573
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid
SMILESCn1nc(CN2CCCC2=O)cc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-12-8(10(15)16)5-7(11-12)6-13-4-2-3-9(13)14/h5H,2-4,6H2,1H3,(H,15,16)
InChIKeyQNYQXEHNJPJFEG-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid (CID 71071573) is 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid is Cn1nc(CN2CCCC2=O)cc1C(=O)O.
What is the InChIKey of 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is QNYQXEHNJPJFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-12-8(10(15)16)5-7(11-12)6-13-4-2-3-9(13)14/h5H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid?
1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 71071573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).