4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid

C9H13N3O3 — CID 117231831

IUPAC4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
SMILESCN1CCC(n2ncc(O)c2C(=O)O)C1
InChIInChI=1S/C9H13N3O3/c1-11-3-2-6(5-11)12-8(9(14)15)7(13)4-10-12/h4,6,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyGFPCVUPWZKPRBV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.16
Rot. Bonds2

About 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid

4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid (PubChem CID 117231831) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
PubChem CID117231831
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid
SMILESCN1CCC(n2ncc(O)c2C(=O)O)C1
InChIInChI=1S/C9H13N3O3/c1-11-3-2-6(5-11)12-8(9(14)15)7(13)4-10-12/h4,6,13H,2-3,5H2,1H3,(H,14,15)
InChIKeyGFPCVUPWZKPRBV-UHFFFAOYSA-N
XLogP0.16
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid (CID 117231831) is 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid is CN1CCC(n2ncc(O)c2C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid?
The InChIKey is GFPCVUPWZKPRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-3-2-6(5-11)12-8(9(14)15)7(13)4-10-12/h4,6,13H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid?
4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-methylpyrrolidin-3-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117231831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).