4-amino-1-methylpyrazole-5-carboxylic acid

C5H7N3O2 — CID 588120

IUPAC4-amino-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(N)c1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,6H2,1H3,(H,9,10)
InChIKeyKMLOGBKLHVLMHE-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.30
Rot. Bonds1

About 4-amino-1-methylpyrazole-5-carboxylic acid

4-amino-1-methylpyrazole-5-carboxylic acid (PubChem CID 588120) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-amino-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methylpyrazole-5-carboxylic acid
PubChem CID588120
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name4-amino-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(N)c1C(=O)O
InChIInChI=1S/C5H7N3O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,6H2,1H3,(H,9,10)
InChIKeyKMLOGBKLHVLMHE-UHFFFAOYSA-N
XLogP-0.30
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-amino-1-methylpyrazole-5-carboxylic acid (CID 588120) is 4-amino-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-amino-1-methylpyrazole-5-carboxylic acid is Cn1ncc(N)c1C(=O)O.
What is the InChIKey of 4-amino-1-methylpyrazole-5-carboxylic acid?
The InChIKey is KMLOGBKLHVLMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,6H2,1H3,(H,9,10).
What are the key properties of 4-amino-1-methylpyrazole-5-carboxylic acid?
4-amino-1-methylpyrazole-5-carboxylic acid has a molecular weight of 141.13 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 588120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).