5-iodo-1H-pyrazole-3-carbohydrazide

C4H5IN4O — CID 163203464

IUPAC5-iodo-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(I)[nH]n1
InChIInChI=1S/C4H5IN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9)
InChIKeyNQKDMWRUIXEOHZ-UHFFFAOYSA-N
MW252.02 g/mol
LogP-0.38
Rot. Bonds1

About 5-iodo-1H-pyrazole-3-carbohydrazide

5-iodo-1H-pyrazole-3-carbohydrazide (PubChem CID 163203464) has the molecular formula C4H5IN4O and a molecular weight of 252.02 g/mol. Its IUPAC name is 5-iodo-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-iodo-1H-pyrazole-3-carbohydrazide
PubChem CID163203464
Molecular FormulaC4H5IN4O
Molecular Weight252.02 g/mol
Exact Mass251.95
IUPAC Name5-iodo-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(I)[nH]n1
InChIInChI=1S/C4H5IN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9)
InChIKeyNQKDMWRUIXEOHZ-UHFFFAOYSA-N
XLogP-0.38
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodo-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-iodo-1H-pyrazole-3-carbohydrazide (CID 163203464) is 5-iodo-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-iodo-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-iodo-1H-pyrazole-3-carbohydrazide is NNC(=O)c1cc(I)[nH]n1.
What is the InChIKey of 5-iodo-1H-pyrazole-3-carbohydrazide?
The InChIKey is NQKDMWRUIXEOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9).
What are the key properties of 5-iodo-1H-pyrazole-3-carbohydrazide?
5-iodo-1H-pyrazole-3-carbohydrazide has a molecular weight of 252.02 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 163203464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).