3,5-diaminopyrazole-1-carboxylic acid

C4H6N4O2 — CID 67419076

IUPAC3,5-diaminopyrazole-1-carboxylic acid
SMILESNc1cc(N)n(C(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-2-1-3(6)8(7-2)4(9)10/h1H,6H2,(H2,5,7)(H,9,10)
InChIKeyGRGZQBKGNPOIRS-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.43
Rot. Bonds

About 3,5-diaminopyrazole-1-carboxylic acid

3,5-diaminopyrazole-1-carboxylic acid (PubChem CID 67419076) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 3,5-diaminopyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3,5-diaminopyrazole-1-carboxylic acid
PubChem CID67419076
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name3,5-diaminopyrazole-1-carboxylic acid
SMILESNc1cc(N)n(C(=O)O)n1
InChIInChI=1S/C4H6N4O2/c5-2-1-3(6)8(7-2)4(9)10/h1H,6H2,(H2,5,7)(H,9,10)
InChIKeyGRGZQBKGNPOIRS-UHFFFAOYSA-N
XLogP-0.43
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diaminopyrazole-1-carboxylic acid?
The IUPAC name of 3,5-diaminopyrazole-1-carboxylic acid (CID 67419076) is 3,5-diaminopyrazole-1-carboxylic acid.
What is the SMILES notation for 3,5-diaminopyrazole-1-carboxylic acid?
The canonical SMILES for 3,5-diaminopyrazole-1-carboxylic acid is Nc1cc(N)n(C(=O)O)n1.
What is the InChIKey of 3,5-diaminopyrazole-1-carboxylic acid?
The InChIKey is GRGZQBKGNPOIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-2-1-3(6)8(7-2)4(9)10/h1H,6H2,(H2,5,7)(H,9,10).
What are the key properties of 3,5-diaminopyrazole-1-carboxylic acid?
3,5-diaminopyrazole-1-carboxylic acid has a molecular weight of 142.12 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diaminopyrazole-1-carboxylic acid is sourced from PubChem (CID 67419076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).