5-amino-1H-pyrazole-4-carbohydrazide

C4H7N5O — CID 13409723

IUPAC5-amino-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]c1N
InChIInChI=1S/C4H7N5O/c5-3-2(1-7-9-3)4(10)8-6/h1H,6H2,(H,8,10)(H3,5,7,9)
InChIKeyVMBCBLRIXKWCLY-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.40
Rot. Bonds1

About 5-amino-1H-pyrazole-4-carbohydrazide

5-amino-1H-pyrazole-4-carbohydrazide (PubChem CID 13409723) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-amino-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-amino-1H-pyrazole-4-carbohydrazide
PubChem CID13409723
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name5-amino-1H-pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]c1N
InChIInChI=1S/C4H7N5O/c5-3-2(1-7-9-3)4(10)8-6/h1H,6H2,(H,8,10)(H3,5,7,9)
InChIKeyVMBCBLRIXKWCLY-UHFFFAOYSA-N
XLogP-1.40
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 5-amino-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-amino-1H-pyrazole-4-carbohydrazide (CID 13409723) is 5-amino-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-amino-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-amino-1H-pyrazole-4-carbohydrazide is NNC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-1H-pyrazole-4-carbohydrazide?
The InChIKey is VMBCBLRIXKWCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-2(1-7-9-3)4(10)8-6/h1H,6H2,(H,8,10)(H3,5,7,9).
What are the key properties of 5-amino-1H-pyrazole-4-carbohydrazide?
5-amino-1H-pyrazole-4-carbohydrazide has a molecular weight of 141.13 g/mol, XLogP of -1.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 13409723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).