[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine

C15H17FN4O — CID 102813247

IUPAC[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H17FN4O/c1-3-12-10(8-20(2)19-12)14(18-17)13-7-9-5-4-6-11(16)15(9)21-13/h4-8,14,18H,3,17H2,1-2H3
InChIKeyPGYXGDAQQJAWNE-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.42
Rot. Bonds4

About [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine

[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 102813247) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID102813247
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H17FN4O/c1-3-12-10(8-20(2)19-12)14(18-17)13-7-9-5-4-6-11(16)15(9)21-13/h4-8,14,18H,3,17H2,1-2H3
InChIKeyPGYXGDAQQJAWNE-UHFFFAOYSA-N
XLogP2.42
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308
[(3-ethyl-1-methylpyrazol-4-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107131050
[(7-fluoro-1-benzofuran-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230636
[(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258723
[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884592
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
[(3,4-dichlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105257216
[(7-fluoro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190989
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylimidazol-4-yl)methyl]ethanamine
CID 114730743
N-[(4-ethylthiadiazol-5-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 105186543

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine (CID 102813247) is [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine is CCc1nn(C)cc1C(NN)c1cc2cccc(F)c2o1.
What is the InChIKey of [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is PGYXGDAQQJAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-12-10(8-20(2)19-12)14(18-17)13-7-9-5-4-6-11(16)15(9)21-13/h4-8,14,18H,3,17H2,1-2H3.
What are the key properties of [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine?
[(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 288.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1-methylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 102813247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).