[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

C15H21FN4 — CID 105312794

IUPAC[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2ccn(C(C)C)n2)NN)c1F
InChIInChI=1S/C15H21FN4/c1-10(2)20-8-7-12(19-20)9-14(18-17)13-6-4-5-11(3)15(13)16/h4-8,10,14,18H,9,17H2,1-3H3
InChIKeyATYHURBTCDOGND-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.66
Rot. Bonds5

About [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine

[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105312794) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105312794
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2ccn(C(C)C)n2)NN)c1F
InChIInChI=1S/C15H21FN4/c1-10(2)20-8-7-12(19-20)9-14(18-17)13-6-4-5-11(3)15(13)16/h4-8,10,14,18H,9,17H2,1-3H3
InChIKeyATYHURBTCDOGND-UHFFFAOYSA-N
XLogP2.66
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.66
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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Related Compounds

[1-(2-chloro-3-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312731
[1-(3-fluoro-4-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105258519
[2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-3-methylphenyl)ethyl]hydrazine
CID 105312611
[1-(2-bromo-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312714
[1-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105215278
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312735
[1-(2,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312747
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
CID 105216281
1-(2-bromo-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107985060

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine (CID 105312794) is [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is Cc1cccc(C(Cc2ccn(C(C)C)n2)NN)c1F.
What is the InChIKey of [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is ATYHURBTCDOGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-10(2)20-8-7-12(19-20)9-14(18-17)13-6-4-5-11(3)15(13)16/h4-8,10,14,18H,9,17H2,1-3H3.
What are the key properties of [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine?
[1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 276.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-3-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105312794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).