3-phenyl-1H-pyrazole-5-carbohydrazide

C10H10N4O — CID 727014

IUPAC3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4O/c11-12-10(15)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15)(H,13,14)
InChIKeyPZNLKKRMQOCPGG-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.68
Rot. Bonds2

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

3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 727014) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID727014
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C10H10N4O/c11-12-10(15)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15)(H,13,14)
InChIKeyPZNLKKRMQOCPGG-UHFFFAOYSA-N
XLogP0.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-1H-pyrazole-5-carbohydrazide (CID 727014) is 3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-1H-pyrazole-5-carbohydrazide is NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is PZNLKKRMQOCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-12-10(15)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,15)(H,13,14).
What are the key properties of 3-phenyl-1H-pyrazole-5-carbohydrazide?
3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 202.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 727014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).