[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine

C13H17FN4 — CID 105204779

IUPAC[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCn1cc(CC(Cc2cccc(F)c2)NN)cn1
InChIInChI=1S/C13H17FN4/c1-18-9-11(8-16-18)7-13(17-15)6-10-3-2-4-12(14)5-10/h2-5,8-9,13,17H,6-7,15H2,1H3
InChIKeyMAHIYIYOCYUIEH-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.18
Rot. Bonds5

About [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine

[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine (PubChem CID 105204779) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
PubChem CID105204779
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
SMILESCn1cc(CC(Cc2cccc(F)c2)NN)cn1
InChIInChI=1S/C13H17FN4/c1-18-9-11(8-16-18)7-13(17-15)6-10-3-2-4-12(14)5-10/h2-5,8-9,13,17H,6-7,15H2,1H3
InChIKeyMAHIYIYOCYUIEH-UHFFFAOYSA-N
XLogP1.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.18
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

N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
3-(3-fluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244646
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
4-[3-(bromomethyl)-4-(3-fluorophenyl)butyl]-1-methylpyrazole
CID 103018495
[1-(3-fluorophenyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 105204751
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
[1-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204664
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-yl]hydrazine
CID 105204804
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine (CID 105204779) is [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine is Cn1cc(CC(Cc2cccc(F)c2)NN)cn1.
What is the InChIKey of [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine?
The InChIKey is MAHIYIYOCYUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-18-9-11(8-16-18)7-13(17-15)6-10-3-2-4-12(14)5-10/h2-5,8-9,13,17H,6-7,15H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine?
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine has a molecular weight of 248.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105204779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).