3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C11H12N4O2 — CID 760982

IUPAC3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccccc1-c1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-7(10)8-6-9(15-14-8)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyJDRWRQALETZBHG-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.69
Rot. Bonds3

About 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 760982) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID760982
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccccc1-c1cc(C(=O)NN)[nH]n1
InChIInChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-7(10)8-6-9(15-14-8)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyJDRWRQALETZBHG-UHFFFAOYSA-N
XLogP0.69
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 760982) is 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccccc1-c1cc(C(=O)NN)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is JDRWRQALETZBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-10-5-3-2-4-7(10)8-6-9(15-14-8)11(16)13-12/h2-6H,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 232.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 760982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).