[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C14H18Br2N4O — CID 105339573

IUPAC[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3
InChIKeyVTQHLIPTTFYCJS-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.55
Rot. Bonds5

About [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105339573) has the molecular formula C14H18Br2N4O and a molecular weight of 418.13 g/mol. Its IUPAC name is [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105339573
Molecular FormulaC14H18Br2N4O
Molecular Weight418.13 g/mol
Exact Mass415.98
IUPAC Name[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1cc(Br)ccc1Br
InChIInChI=1S/C14H18Br2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3
InChIKeyVTQHLIPTTFYCJS-UHFFFAOYSA-N
XLogP3.55
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.55
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

[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105252746
1-(4-bromo-2-methoxyphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041705
1-(3,5-dibromo-2-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114660600
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105339573) is [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)c1cc(Br)ccc1Br.
What is the InChIKey of [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is VTQHLIPTTFYCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N4O/c1-8(2)20-14(12(21-3)7-18-20)13(19-17)10-6-9(15)4-5-11(10)16/h4-8,13,19H,17H2,1-3H3.
What are the key properties of [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 418.13 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).