[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

C14H18BrClN4 — CID 105337238

IUPAC[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cc(C)ccc1Br
InChIInChI=1S/C14H18BrClN4/c1-3-6-20-14(12(16)8-18-20)13(19-17)10-7-9(2)4-5-11(10)15/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyFRIDWTDAFAQBDL-UHFFFAOYSA-N
MW357.68 g/mol
LogP3.57
Rot. Bonds5

About [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105337238) has the molecular formula C14H18BrClN4 and a molecular weight of 357.68 g/mol. Its IUPAC name is [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID105337238
Molecular FormulaC14H18BrClN4
Molecular Weight357.68 g/mol
Exact Mass356.04
IUPAC Name[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1cc(C)ccc1Br
InChIInChI=1S/C14H18BrClN4/c1-3-6-20-14(12(16)8-18-20)13(19-17)10-7-9(2)4-5-11(10)15/h4-5,7-8,13,19H,3,6,17H2,1-2H3
InChIKeyFRIDWTDAFAQBDL-UHFFFAOYSA-N
XLogP3.57
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 53.57
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

[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
1-(2-bromo-4-methylphenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042561
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
[(3-chloro-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107103824
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
(4-chloro-1-propylpyrazol-5-yl)-(2,4-dimethylphenyl)methanamine
CID 105042475
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (CID 105337238) is [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1cc(C)ccc1Br.
What is the InChIKey of [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is FRIDWTDAFAQBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4/c1-3-6-20-14(12(16)8-18-20)13(19-17)10-7-9(2)4-5-11(10)15/h4-5,7-8,13,19H,3,6,17H2,1-2H3.
What are the key properties of [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 357.68 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).