4-hydroxy-1-phenylpyrazole-3-carbohydrazide

C10H10N4O2 — CID 4644032

IUPAC4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H10N4O2/c11-12-10(16)9-8(15)6-14(13-9)7-4-2-1-3-5-7/h1-6,15H,11H2,(H,12,16)
InChIKeyCCQUGXAZKAPLKB-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.18
Rot. Bonds2

About 4-hydroxy-1-phenylpyrazole-3-carbohydrazide

4-hydroxy-1-phenylpyrazole-3-carbohydrazide (PubChem CID 4644032) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-hydroxy-1-phenylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-1-phenylpyrazole-3-carbohydrazide
PubChem CID4644032
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-hydroxy-1-phenylpyrazole-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H10N4O2/c11-12-10(16)9-8(15)6-14(13-9)7-4-2-1-3-5-7/h1-6,15H,11H2,(H,12,16)
InChIKeyCCQUGXAZKAPLKB-UHFFFAOYSA-N
XLogP0.18
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.18
H-Bond Donors ≤ 53
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 4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-1-phenylpyrazole-3-carbohydrazide (CID 4644032) is 4-hydroxy-1-phenylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-1-phenylpyrazole-3-carbohydrazide is NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
The InChIKey is CCQUGXAZKAPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-12-10(16)9-8(15)6-14(13-9)7-4-2-1-3-5-7/h1-6,15H,11H2,(H,12,16).
What are the key properties of 4-hydroxy-1-phenylpyrazole-3-carbohydrazide?
4-hydroxy-1-phenylpyrazole-3-carbohydrazide has a molecular weight of 218.22 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenylpyrazole-3-carbohydrazide is sourced from PubChem (CID 4644032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).