[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

C12H14BrFN4 — CID 105228370

IUPAC[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(C(Cc2cc(F)cc(Br)c2)NN)cn1
InChIInChI=1S/C12H14BrFN4/c1-18-7-9(6-16-18)12(17-15)4-8-2-10(13)5-11(14)3-8/h2-3,5-7,12,17H,4,15H2,1H3
InChIKeyQTURPDSOTHDXMO-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.07
Rot. Bonds4

About [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105228370) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105228370
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(C(Cc2cc(F)cc(Br)c2)NN)cn1
InChIInChI=1S/C12H14BrFN4/c1-18-7-9(6-16-18)12(17-15)4-8-2-10(13)5-11(14)3-8/h2-3,5-7,12,17H,4,15H2,1H3
InChIKeyQTURPDSOTHDXMO-UHFFFAOYSA-N
XLogP2.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.07
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-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105238664
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[2-(3-bromo-5-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105324860
[1-(3-bromo-5-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 107948391
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
[2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine
CID 105324817
[2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105324861
[2-(3-bromo-5-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethyl]hydrazine
CID 105324870
[2-(3-bromo-5-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethyl]hydrazine
CID 105256410
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105235895
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025740

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105228370) is [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cn1cc(C(Cc2cc(F)cc(Br)c2)NN)cn1.
What is the InChIKey of [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is QTURPDSOTHDXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-18-7-9(6-16-18)12(17-15)4-8-2-10(13)5-11(14)3-8/h2-3,5-7,12,17H,4,15H2,1H3.
What are the key properties of [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 313.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105228370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).