1-(2-aminoethyl)pyrazole-3-carboxylic acid

C6H9N3O2 — CID 155971421

IUPAC1-(2-aminoethyl)pyrazole-3-carboxylic acid
SMILESNCCn1ccc(C(=O)O)n1
InChIInChI=1S/C6H9N3O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4,7H2,(H,10,11)
InChIKeyWVBMJVZKSLUVQC-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.46
Rot. Bonds3

About 1-(2-aminoethyl)pyrazole-3-carboxylic acid

1-(2-aminoethyl)pyrazole-3-carboxylic acid (PubChem CID 155971421) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrazole-3-carboxylic acid
PubChem CID155971421
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-(2-aminoethyl)pyrazole-3-carboxylic acid
SMILESNCCn1ccc(C(=O)O)n1
InChIInChI=1S/C6H9N3O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4,7H2,(H,10,11)
InChIKeyWVBMJVZKSLUVQC-UHFFFAOYSA-N
XLogP-0.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)pyrazole-3-carboxylic acid (CID 155971421) is 1-(2-aminoethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)pyrazole-3-carboxylic acid is NCCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-(2-aminoethyl)pyrazole-3-carboxylic acid?
The InChIKey is WVBMJVZKSLUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-2-4-9-3-1-5(8-9)6(10)11/h1,3H,2,4,7H2,(H,10,11).
What are the key properties of 1-(2-aminoethyl)pyrazole-3-carboxylic acid?
1-(2-aminoethyl)pyrazole-3-carboxylic acid has a molecular weight of 155.16 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 155971421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).