[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine

C14H18BrFN4 — CID 105201663

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccc(C)c(F)c1
InChIInChI=1S/C14H18BrFN4/c1-3-6-20-14(11(15)8-18-20)13(19-17)10-5-4-9(2)12(16)7-10/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyZJALEXDNBAJPEB-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.06
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine (PubChem CID 105201663) has the molecular formula C14H18BrFN4 and a molecular weight of 341.23 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
PubChem CID105201663
Molecular FormulaC14H18BrFN4
Molecular Weight341.23 g/mol
Exact Mass340.07
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccc(C)c(F)c1
InChIInChI=1S/C14H18BrFN4/c1-3-6-20-14(11(15)8-18-20)13(19-17)10-5-4-9(2)12(16)7-10/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyZJALEXDNBAJPEB-UHFFFAOYSA-N
XLogP3.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.06
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-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105336638
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
CID 105337275
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
CID 114019567
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine (CID 105201663) is [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1ccc(C)c(F)c1.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine?
The InChIKey is ZJALEXDNBAJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN4/c1-3-6-20-14(11(15)8-18-20)13(19-17)10-5-4-9(2)12(16)7-10/h4-5,7-8,13,19H,3,6,17H2,1-2H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine has a molecular weight of 341.23 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105201663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).