1H-pyrazole-3,5-dicarboxamide

C5H6N4O2 — CID 54569038

IUPAC1H-pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyZVXTUAKXYXKULZ-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.39
Rot. Bonds2

About 1H-pyrazole-3,5-dicarboxamide

1H-pyrazole-3,5-dicarboxamide (PubChem CID 54569038) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1H-pyrazole-3,5-dicarboxamide
PubChem CID54569038
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name1H-pyrazole-3,5-dicarboxamide
SMILESNC(=O)c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChIKeyZVXTUAKXYXKULZ-UHFFFAOYSA-N
XLogP-1.39
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1H-pyrazole-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 1H-pyrazole-3,5-dicarboxamide (CID 54569038) is 1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1H-pyrazole-3,5-dicarboxamide is NC(=O)c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 1H-pyrazole-3,5-dicarboxamide?
The InChIKey is ZVXTUAKXYXKULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-4(10)2-1-3(5(7)11)9-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9).
What are the key properties of 1H-pyrazole-3,5-dicarboxamide?
1H-pyrazole-3,5-dicarboxamide has a molecular weight of 154.13 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 54569038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).