2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid

C10H15N3O2 — CID 25247982

IUPAC2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
SMILESCn1nccc1C1CCCN1CC(=O)O
InChIInChI=1S/C10H15N3O2/c1-12-8(4-5-11-12)9-3-2-6-13(9)7-10(14)15/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyDEVGVHQUAWDOAZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.64
Rot. Bonds3

About 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid

2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 25247982) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
PubChem CID25247982
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
SMILESCn1nccc1C1CCCN1CC(=O)O
InChIInChI=1S/C10H15N3O2/c1-12-8(4-5-11-12)9-3-2-6-13(9)7-10(14)15/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyDEVGVHQUAWDOAZ-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid (CID 25247982) is 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid is Cn1nccc1C1CCCN1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is DEVGVHQUAWDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12-8(4-5-11-12)9-3-2-6-13(9)7-10(14)15/h4-5,9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid?
2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 25247982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).