ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate

C15H18N4O2 — CID 25223686

IUPACethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N/N=C/Cc2ccccc2)n[nH]c1C
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)13-11(2)17-19-14(13)18-16-10-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19)/b16-10+
InChIKeyTUDWNJBOVIZVMV-MHWRWJLKSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds6

About ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate (PubChem CID 25223686) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate
PubChem CID25223686
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Nameethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N/N=C/Cc2ccccc2)n[nH]c1C
InChIInChI=1S/C15H18N4O2/c1-3-21-15(20)13-11(2)17-19-14(13)18-16-10-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19)/b16-10+
InChIKeyTUDWNJBOVIZVMV-MHWRWJLKSA-N
XLogP2.54
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate (CID 25223686) is ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(N/N=C/Cc2ccccc2)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate?
The InChIKey is TUDWNJBOVIZVMV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-21-15(20)13-11(2)17-19-14(13)18-16-10-9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,17,18,19)/b16-10+.
What are the key properties of ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-[(2E)-2-(2-phenylethylidene)hydrazinyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 25223686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).