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

C11H12N4O — CID 3116416

IUPAC4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN
InChIInChI=1S/C11H12N4O/c1-7-9(8-5-3-2-4-6-8)14-15-10(7)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyKDLBGTXYFXKNLL-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.99
Rot. Bonds2

About 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide

4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide (PubChem CID 3116416) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
PubChem CID3116416
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN
InChIInChI=1S/C11H12N4O/c1-7-9(8-5-3-2-4-6-8)14-15-10(7)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyKDLBGTXYFXKNLL-UHFFFAOYSA-N
XLogP0.99
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.99
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 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide (CID 3116416) is 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide is Cc1c(-c2ccccc2)n[nH]c1C(=O)NN.
What is the InChIKey of 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is KDLBGTXYFXKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-9(8-5-3-2-4-6-8)14-15-10(7)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide?
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 216.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 3116416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).