[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

C12H16BrN5O — CID 105268019

IUPAC[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1ncccc1Br
InChIInChI=1S/C12H16BrN5O/c1-3-18-12(9(19-2)7-16-18)11(17-14)10-8(13)5-4-6-15-10/h4-7,11,17H,3,14H2,1-2H3
InChIKeyZZJHHTBGAGFFLJ-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.62
Rot. Bonds5

About [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (PubChem CID 105268019) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
PubChem CID105268019
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1ncccc1Br
InChIInChI=1S/C12H16BrN5O/c1-3-18-12(9(19-2)7-16-18)11(17-14)10-8(13)5-4-6-15-10/h4-7,11,17H,3,14H2,1-2H3
InChIKeyZZJHHTBGAGFFLJ-UHFFFAOYSA-N
XLogP1.62
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209168
1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660556
[(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methyl]hydrazine
CID 105257897
[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263858
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
N-[(3-bromo-2-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660568
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105339343
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
[(3-ethyl-2-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105263810
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (CID 105268019) is [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is CCn1ncc(OC)c1C(NN)c1ncccc1Br.
What is the InChIKey of [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The InChIKey is ZZJHHTBGAGFFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-3-18-12(9(19-2)7-16-18)11(17-14)10-8(13)5-4-6-15-10/h4-7,11,17H,3,14H2,1-2H3.
What are the key properties of [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine has a molecular weight of 326.20 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105268019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).