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

C12H14BrFN4 — CID 105238664

IUPAC[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C12H14BrFN4/c1-18-7-8(6-16-18)2-12(17-15)9-3-10(13)5-11(14)4-9/h3-7,12,17H,2,15H2,1H3
InChIKeyPEVVCPABDOVDGP-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.07
Rot. Bonds4

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

[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105238664) has the molecular formula C12H14BrFN4 and a molecular weight of 313.17 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105238664
Molecular FormulaC12H14BrFN4
Molecular Weight313.17 g/mol
Exact Mass312.04
IUPAC Name[1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(CC(NN)c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C12H14BrFN4/c1-18-7-8(6-16-18)2-12(17-15)9-3-10(13)5-11(14)4-9/h3-7,12,17H,2,15H2,1H3
InChIKeyPEVVCPABDOVDGP-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)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228370
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[1-(3,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025740
[1-(4-bromo-3-chlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291168
[1-(5-methylfuran-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291170
[2-(3-bromo-4-fluorophenyl)-1-(3-bromo-5-fluorophenyl)ethyl]hydrazine
CID 105238513
[1-(2,5-dibromothiophen-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 107970127
2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 79709215
[1-(6-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105253076
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
[1-(3-chloro-4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291154

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105238664) is [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cn1cc(CC(NN)c2cc(F)cc(Br)c2)cn1.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is PEVVCPABDOVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN4/c1-18-7-8(6-16-18)2-12(17-15)9-3-10(13)5-11(14)4-9/h3-7,12,17H,2,15H2,1H3.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-2-(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 [1-(3-bromo-5-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105238664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).