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

C12H14N4O2 — CID 727453

IUPAC3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCCOc1cccc(-c2cc(C(=O)NN)[nH]n2)c1
InChIInChI=1S/C12H14N4O2/c1-2-18-9-5-3-4-8(6-9)10-7-11(16-15-10)12(17)14-13/h3-7H,2,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyPYGNMCTZTHMXDZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.08
Rot. Bonds4

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

3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 727453) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID727453
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCCOc1cccc(-c2cc(C(=O)NN)[nH]n2)c1
InChIInChI=1S/C12H14N4O2/c1-2-18-9-5-3-4-8(6-9)10-7-11(16-15-10)12(17)14-13/h3-7H,2,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyPYGNMCTZTHMXDZ-UHFFFAOYSA-N
XLogP1.08
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.08
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-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 727453) is 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide is CCOc1cccc(-c2cc(C(=O)NN)[nH]n2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is PYGNMCTZTHMXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-9-5-3-4-8(6-9)10-7-11(16-15-10)12(17)14-13/h3-7H,2,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide?
3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 727453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).