[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine

C16H23BrN4 — CID 105336163

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23BrN4/c1-5-21-15(13(17)10-19-21)14(20-18)11-8-6-7-9-12(11)16(2,3)4/h6-10,14,20H,5,18H2,1-4H3
InChIKeyQYHKMPKQPCUZMJ-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.52
Rot. Bonds4

About [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine (PubChem CID 105336163) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
PubChem CID105336163
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1ccccc1C(C)(C)C
InChIInChI=1S/C16H23BrN4/c1-5-21-15(13(17)10-19-21)14(20-18)11-8-6-7-9-12(11)16(2,3)4/h6-10,14,20H,5,18H2,1-4H3
InChIKeyQYHKMPKQPCUZMJ-UHFFFAOYSA-N
XLogP3.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.52
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-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219437
[(4-bromo-1-ethylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methyl]hydrazine
CID 105336201
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2-fluorophenyl)methyl]ethanamine
CID 114650671
[(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
[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methyl]hydrazine
CID 105251541

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine (CID 105336163) is [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)c1ccccc1C(C)(C)C.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine?
The InChIKey is QYHKMPKQPCUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-21-15(13(17)10-19-21)14(20-18)11-8-6-7-9-12(11)16(2,3)4/h6-10,14,20H,5,18H2,1-4H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine has a molecular weight of 351.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine is sourced from PubChem (CID 105336163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).