1H-pyrazole-3,5-dicarbohydrazide

C5H8N6O2 — CID 91044122

IUPAC1H-pyrazole-3,5-dicarbohydrazide
SMILESNNC(=O)c1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C5H8N6O2/c6-8-4(12)2-1-3(11-10-2)5(13)9-7/h1H,6-7H2,(H,8,12)(H,9,13)(H,10,11)
InChIKeyXOAXKUJQRYTQRS-UHFFFAOYSA-N
MW184.16 g/mol
LogP-2.38
Rot. Bonds2

About 1H-pyrazole-3,5-dicarbohydrazide

1H-pyrazole-3,5-dicarbohydrazide (PubChem CID 91044122) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1H-pyrazole-3,5-dicarbohydrazide.

Molecular Properties

Compound Name1H-pyrazole-3,5-dicarbohydrazide
PubChem CID91044122
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name1H-pyrazole-3,5-dicarbohydrazide
SMILESNNC(=O)c1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C5H8N6O2/c6-8-4(12)2-1-3(11-10-2)5(13)9-7/h1H,6-7H2,(H,8,12)(H,9,13)(H,10,11)
InChIKeyXOAXKUJQRYTQRS-UHFFFAOYSA-N
XLogP-2.38
TPSA138.92 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-2.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-3,5-dicarbohydrazide?
The IUPAC name of 1H-pyrazole-3,5-dicarbohydrazide (CID 91044122) is 1H-pyrazole-3,5-dicarbohydrazide.
What is the SMILES notation for 1H-pyrazole-3,5-dicarbohydrazide?
The canonical SMILES for 1H-pyrazole-3,5-dicarbohydrazide is NNC(=O)c1cc(C(=O)NN)[nH]n1.
What is the InChIKey of 1H-pyrazole-3,5-dicarbohydrazide?
The InChIKey is XOAXKUJQRYTQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2/c6-8-4(12)2-1-3(11-10-2)5(13)9-7/h1H,6-7H2,(H,8,12)(H,9,13)(H,10,11).
What are the key properties of 1H-pyrazole-3,5-dicarbohydrazide?
1H-pyrazole-3,5-dicarbohydrazide has a molecular weight of 184.16 g/mol, XLogP of -2.38, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-3,5-dicarbohydrazide is sourced from PubChem (CID 91044122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).