3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide

C17H16N4O2 — CID 2387114

IUPAC3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22)
InChIKeyOCBDXKLIFRIOIK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.15
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide (PubChem CID 2387114) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
PubChem CID2387114
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22)
InChIKeyOCBDXKLIFRIOIK-UHFFFAOYSA-N
XLogP2.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
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'}

Analyze 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide (CID 2387114) is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is OCBDXKLIFRIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22).
What are the key properties of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 2387114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).