[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine

C12H11BrF4N4 — CID 105342188

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF4N4/c1-21-11(8(13)5-19-21)10(20-18)6-2-3-9(14)7(4-6)12(15,16)17/h2-5,10,20H,18H2,1H3
InChIKeyRARQAHVRDKIVNJ-UHFFFAOYSA-N
MW367.14 g/mol
LogP2.89
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105342188) has the molecular formula C12H11BrF4N4 and a molecular weight of 367.14 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105342188
Molecular FormulaC12H11BrF4N4
Molecular Weight367.14 g/mol
Exact Mass366.01
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H11BrF4N4/c1-21-11(8(13)5-19-21)10(20-18)6-2-3-9(14)7(4-6)12(15,16)17/h2-5,10,20H,18H2,1H3
InChIKeyRARQAHVRDKIVNJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 52.89
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)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
CID 107997373
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105342182
[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
1-(4-bromo-1-methylpyrazol-5-yl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105054182
[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105342179

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105342188) is [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is RARQAHVRDKIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrF4N4/c1-21-11(8(13)5-19-21)10(20-18)6-2-3-9(14)7(4-6)12(15,16)17/h2-5,10,20H,18H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 367.14 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105342188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).