[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine

C11H11BrClFN4 — CID 107997373

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11BrClFN4/c1-18-11(7(12)5-16-18)10(17-15)6-2-3-8(13)9(14)4-6/h2-5,10,17H,15H2,1H3
InChIKeyNNBJKHFFHJGWOS-UHFFFAOYSA-N
MW333.59 g/mol
LogP2.53
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine (PubChem CID 107997373) has the molecular formula C11H11BrClFN4 and a molecular weight of 333.59 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
PubChem CID107997373
Molecular FormulaC11H11BrClFN4
Molecular Weight333.59 g/mol
Exact Mass331.98
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H11BrClFN4/c1-18-11(7(12)5-16-18)10(17-15)6-2-3-8(13)9(14)4-6/h2-5,10,17H,15H2,1H3
InChIKeyNNBJKHFFHJGWOS-UHFFFAOYSA-N
XLogP2.53
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.59
LogP ≤ 52.53
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)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
(4-bromo-1-methylpyrazol-5-yl)-(3,4-dichlorophenyl)methanol
CID 114634413
[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105342182

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine (CID 107997373) is [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1ccc(Cl)c(F)c1.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine?
The InChIKey is NNBJKHFFHJGWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN4/c1-18-11(7(12)5-16-18)10(17-15)6-2-3-8(13)9(14)4-6/h2-5,10,17H,15H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(4-chloro-3-fluorophenyl)methyl]hydrazine has a molecular weight of 333.59 g/mol, XLogP of 2.53, 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-chloro-3-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 107997373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).