2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid

C8H11N3O2 — CID 25248817

IUPAC2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid
SMILESNc1cc(C2CC2)nn1CC(=O)O
InChIInChI=1S/C8H11N3O2/c9-7-3-6(5-1-2-5)10-11(7)4-8(12)13/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyIBMDYHOPKOCXIN-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.43
Rot. Bonds3

About 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid

2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid (PubChem CID 25248817) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid
PubChem CID25248817
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid
SMILESNc1cc(C2CC2)nn1CC(=O)O
InChIInChI=1S/C8H11N3O2/c9-7-3-6(5-1-2-5)10-11(7)4-8(12)13/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyIBMDYHOPKOCXIN-UHFFFAOYSA-N
XLogP0.43
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid (CID 25248817) is 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid is Nc1cc(C2CC2)nn1CC(=O)O.
What is the InChIKey of 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid?
The InChIKey is IBMDYHOPKOCXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7-3-6(5-1-2-5)10-11(7)4-8(12)13/h3,5H,1-2,4,9H2,(H,12,13).
What are the key properties of 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid?
2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclopropylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 25248817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).