[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine

C12H13BrF2N4 — CID 105219437

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C12H13BrF2N4/c1-2-19-12(9(13)6-17-19)11(18-16)8-5-7(14)3-4-10(8)15/h3-6,11,18H,2,16H2,1H3
InChIKeyKMVZHRVMZJDPES-UHFFFAOYSA-N
MW331.16 g/mol
LogP2.50
Rot. Bonds4

About [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine (PubChem CID 105219437) has the molecular formula C12H13BrF2N4 and a molecular weight of 331.16 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
PubChem CID105219437
Molecular FormulaC12H13BrF2N4
Molecular Weight331.16 g/mol
Exact Mass330.03
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1cc(F)ccc1F
InChIInChI=1S/C12H13BrF2N4/c1-2-19-12(9(13)6-17-19)11(18-16)8-5-7(14)3-4-10(8)15/h3-6,11,18H,2,16H2,1H3
InChIKeyKMVZHRVMZJDPES-UHFFFAOYSA-N
XLogP2.50
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 52.50
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

[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 114894782
[(2-bromo-4-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336356
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251541
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine (CID 105219437) is [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)c1cc(F)ccc1F.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
The InChIKey is KMVZHRVMZJDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4/c1-2-19-12(9(13)6-17-19)11(18-16)8-5-7(14)3-4-10(8)15/h3-6,11,18H,2,16H2,1H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine has a molecular weight of 331.16 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105219437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).