4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline

C14H20BrN5O — CID 105263508

IUPAC4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
SMILESCCCn1ncc(OC)c1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C14H20BrN5O/c1-3-6-20-14(12(21-2)8-18-20)13(19-17)10-7-9(15)4-5-11(10)16/h4-5,7-8,13,19H,3,6,16-17H2,1-2H3
InChIKeyLBHYXSYXBWZZMH-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.20
Rot. Bonds6

About 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline

4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline (PubChem CID 105263508) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
PubChem CID105263508
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
SMILESCCCn1ncc(OC)c1C(NN)c1cc(Br)ccc1N
InChIInChI=1S/C14H20BrN5O/c1-3-6-20-14(12(21-2)8-18-20)13(19-17)10-7-9(15)4-5-11(10)16/h4-5,7-8,13,19H,3,6,16-17H2,1-2H3
InChIKeyLBHYXSYXBWZZMH-UHFFFAOYSA-N
XLogP2.20
TPSA91.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107970637
[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105263440
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279840
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
(5-bromo-2-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114634965
[(2-bromo-6-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105280420
[(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339799

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline (CID 105263508) is 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline is CCCn1ncc(OC)c1C(NN)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline?
The InChIKey is LBHYXSYXBWZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-3-6-20-14(12(21-2)8-18-20)13(19-17)10-7-9(15)4-5-11(10)16/h4-5,7-8,13,19H,3,6,16-17H2,1-2H3.
What are the key properties of 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline?
4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline has a molecular weight of 354.25 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline is sourced from PubChem (CID 105263508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).