3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid

C4H7N3O2 — CID 54470223

IUPAC3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESNC1=NNCC1C(=O)O
InChIInChI=1S/C4H7N3O2/c5-3-2(4(8)9)1-6-7-3/h2,6H,1H2,(H2,5,7)(H,8,9)
InChIKeyXHUNOKBMYSZLKI-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.44
Rot. Bonds1

About 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid

3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid (PubChem CID 54470223) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid
PubChem CID54470223
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid
SMILESNC1=NNCC1C(=O)O
InChIInChI=1S/C4H7N3O2/c5-3-2(4(8)9)1-6-7-3/h2,6H,1H2,(H2,5,7)(H,8,9)
InChIKeyXHUNOKBMYSZLKI-UHFFFAOYSA-N
XLogP-1.44
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid (CID 54470223) is 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid is NC1=NNCC1C(=O)O.
What is the InChIKey of 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
The InChIKey is XHUNOKBMYSZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c5-3-2(4(8)9)1-6-7-3/h2,6H,1H2,(H2,5,7)(H,8,9).
What are the key properties of 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid?
3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid has a molecular weight of 129.12 g/mol, XLogP of -1.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dihydro-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 54470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).