5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide

C11H14N4O3 — CID 114273838

IUPAC5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCCOc1cnn(Cc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C11H14N4O3/c1-2-17-9-5-13-15(7-9)6-8-3-4-10(18-8)11(16)14-12/h3-5,7H,2,6,12H2,1H3,(H,14,16)
InChIKeyYEUBDEFTYGAZRC-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.53
Rot. Bonds5

About 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide

5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 114273838) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID114273838
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
SMILESCCOc1cnn(Cc2ccc(C(=O)NN)o2)c1
InChIInChI=1S/C11H14N4O3/c1-2-17-9-5-13-15(7-9)6-8-3-4-10(18-8)11(16)14-12/h3-5,7H,2,6,12H2,1H3,(H,14,16)
InChIKeyYEUBDEFTYGAZRC-UHFFFAOYSA-N
XLogP0.53
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

5-[(4-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 5104781
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 90484260
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
5-[(4-chloropyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 44820958
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19395530
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460961
5-[(2-oxo-3-propylimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582724

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide (CID 114273838) is 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide is CCOc1cnn(Cc2ccc(C(=O)NN)o2)c1.
What is the InChIKey of 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is YEUBDEFTYGAZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-2-17-9-5-13-15(7-9)6-8-3-4-10(18-8)11(16)14-12/h3-5,7H,2,6,12H2,1H3,(H,14,16).
What are the key properties of 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 250.26 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 114273838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).