[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

C15H21FN4 — CID 106884592

IUPAC[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H21FN4/c1-5-13-11(8-20(4)19-13)15(18-17)14-10(3)6-9(2)7-12(14)16/h6-8,15,18H,5,17H2,1-4H3
InChIKeyRQKGNJKQOJTSQU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.29
Rot. Bonds4

About [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine

[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (PubChem CID 106884592) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
PubChem CID106884592
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
SMILESCCc1nn(C)cc1C(NN)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H21FN4/c1-5-13-11(8-20(4)19-13)15(18-17)14-10(3)6-9(2)7-12(14)16/h6-8,15,18H,5,17H2,1-4H3
InChIKeyRQKGNJKQOJTSQU-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine (CID 106884592) is [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is CCc1nn(C)cc1C(NN)c1c(C)cc(C)cc1F.
What is the InChIKey of [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
The InChIKey is RQKGNJKQOJTSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-5-13-11(8-20(4)19-13)15(18-17)14-10(3)6-9(2)7-12(14)16/h6-8,15,18H,5,17H2,1-4H3.
What are the key properties of [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine?
[(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine has a molecular weight of 276.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-1-methylpyrazol-4-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 106884592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).