[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine

C14H18BrClN4O — CID 105339857

IUPAC[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(OC)c1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C14H18BrClN4O/c1-3-7-20-14(11(21-2)8-18-20)13(19-17)9-5-4-6-10(15)12(9)16/h4-6,8,13,19H,3,7,17H2,1-2H3
InChIKeyQTKSPGJOIVSVHW-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.27
Rot. Bonds6

About [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine

[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105339857) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID105339857
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(OC)c1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C14H18BrClN4O/c1-3-7-20-14(11(21-2)8-18-20)13(19-17)9-5-4-6-10(15)12(9)16/h4-6,8,13,19H,3,7,17H2,1-2H3
InChIKeyQTKSPGJOIVSVHW-UHFFFAOYSA-N
XLogP3.27
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
[(2-bromo-6-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105280420
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
[(3-bromo-2-chlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285757
[(4-chloro-1-propylpyrazol-5-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105337147
[(4-methoxy-1-propylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219117
[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107970637
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279840
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine (CID 105339857) is [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(OC)c1C(NN)c1cccc(Br)c1Cl.
What is the InChIKey of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is QTKSPGJOIVSVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN4O/c1-3-7-20-14(11(21-2)8-18-20)13(19-17)9-5-4-6-10(15)12(9)16/h4-6,8,13,19H,3,7,17H2,1-2H3.
What are the key properties of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 373.68 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).