N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide

C15H15ClN4O3 — CID 7021979

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cnccn2)cc(C)c1Cl
InChIInChI=1S/C15H15ClN4O3/c1-9-5-11(6-10(2)14(9)16)23-8-13(21)19-20-15(22)12-7-17-3-4-18-12/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKJWXKRDIPCAZBC-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.59
Rot. Bonds4

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide (PubChem CID 7021979) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
PubChem CID7021979
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
SMILESCc1cc(OCC(=O)NNC(=O)c2cnccn2)cc(C)c1Cl
InChIInChI=1S/C15H15ClN4O3/c1-9-5-11(6-10(2)14(9)16)23-8-13(21)19-20-15(22)12-7-17-3-4-18-12/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKJWXKRDIPCAZBC-UHFFFAOYSA-N
XLogP1.59
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
2-(4-chloro-2-methylphenoxy)-N'-(2-pyrazinylcarbonyl)acetohydrazide
CID 751040
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]pyrazine-2-carbohydrazide
CID 4826934
N'-[2-(2,4-dichlorophenoxy)propanoyl]pyrazine-2-carbohydrazide
CID 3120244
N'-[2-(2-fluorophenoxy)propanoyl]-5-methylpyrazine-2-carbohydrazide
CID 18205783
N'-[2-(4-fluorophenoxy)acetyl]-5-methylpyrazine-2-carbohydrazide
CID 22830725
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]pyrazine-2-carbohydrazide
CID 41879392
N'-[2-(2-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide
CID 45765666
N'-[2-(4-fluorophenoxy)propanoyl]pyrazine-2-carbohydrazide
CID 51161375
N'-[2-(4-fluorophenoxy)propanoyl]-5-methylpyrazine-2-carbohydrazide
CID 51161385

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide (CID 7021979) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide is Cc1cc(OCC(=O)NNC(=O)c2cnccn2)cc(C)c1Cl.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
The InChIKey is KJWXKRDIPCAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-9-5-11(6-10(2)14(9)16)23-8-13(21)19-20-15(22)12-7-17-3-4-18-12/h3-7H,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide has a molecular weight of 334.76 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 7021979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).