N'-benzoyl-1H-pyrazole-5-carbohydrazide

C11H10N4O2 — CID 12921225

IUPACN'-benzoyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C11H10N4O2/c16-10(8-4-2-1-3-5-8)14-15-11(17)9-6-7-12-13-9/h1-7H,(H,12,13)(H,14,16)(H,15,17)
InChIKeyDDYIMWRRZMNOJL-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.48
Rot. Bonds2

About N'-benzoyl-1H-pyrazole-5-carbohydrazide

N'-benzoyl-1H-pyrazole-5-carbohydrazide (PubChem CID 12921225) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N'-benzoyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1H-pyrazole-5-carbohydrazide
PubChem CID12921225
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN'-benzoyl-1H-pyrazole-5-carbohydrazide
SMILESO=C(NNC(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C11H10N4O2/c16-10(8-4-2-1-3-5-8)14-15-11(17)9-6-7-12-13-9/h1-7H,(H,12,13)(H,14,16)(H,15,17)
InChIKeyDDYIMWRRZMNOJL-UHFFFAOYSA-N
XLogP0.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-benzoyl-1H-pyrazole-5-carbohydrazide (CID 12921225) is N'-benzoyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-benzoyl-1H-pyrazole-5-carbohydrazide is O=C(NNC(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is DDYIMWRRZMNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-10(8-4-2-1-3-5-8)14-15-11(17)9-6-7-12-13-9/h1-7H,(H,12,13)(H,14,16)(H,15,17).
What are the key properties of N'-benzoyl-1H-pyrazole-5-carbohydrazide?
N'-benzoyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 230.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 12921225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).