3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide

C13H16N4O2 — CID 854342

IUPAC3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)NN)c2C)cc1
InChIInChI=1S/C13H16N4O2/c1-3-19-10-6-4-9(5-7-10)11-8(2)12(17-16-11)13(18)15-14/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZGKBOCHBQGGPCQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.39
Rot. Bonds4

About 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide

3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide (PubChem CID 854342) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
PubChem CID854342
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)NN)c2C)cc1
InChIInChI=1S/C13H16N4O2/c1-3-19-10-6-4-9(5-7-10)11-8(2)12(17-16-11)13(18)15-14/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyZGKBOCHBQGGPCQ-UHFFFAOYSA-N
XLogP1.39
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.39
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-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide (CID 854342) is 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide is CCOc1ccc(-c2n[nH]c(C(=O)NN)c2C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZGKBOCHBQGGPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-10-6-4-9(5-7-10)11-8(2)12(17-16-11)13(18)15-14/h4-7H,3,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide?
3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide has a molecular weight of 260.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 854342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).