3-amino-1-methylpyrazole-4-carboxylic acid

C5H7N3O2 — CID 19754734

IUPAC3-amino-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(N)n1
InChIInChI=1S/C5H7N3O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyHWHYJHNAHXOFAA-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.30
Rot. Bonds1

About 3-amino-1-methylpyrazole-4-carboxylic acid

3-amino-1-methylpyrazole-4-carboxylic acid (PubChem CID 19754734) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-4-carboxylic acid
PubChem CID19754734
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name3-amino-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(N)n1
InChIInChI=1S/C5H7N3O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10)
InChIKeyHWHYJHNAHXOFAA-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 3-amino-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-amino-1-methylpyrazole-4-carboxylic acid (CID 19754734) is 3-amino-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-amino-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-amino-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(N)n1.
What is the InChIKey of 3-amino-1-methylpyrazole-4-carboxylic acid?
The InChIKey is HWHYJHNAHXOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-8-2-3(5(9)10)4(6)7-8/h2H,1H3,(H2,6,7)(H,9,10).
What are the key properties of 3-amino-1-methylpyrazole-4-carboxylic acid?
3-amino-1-methylpyrazole-4-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 3-amino-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19754734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).