[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine

C9H10BrN7O2 — CID 80655585

IUPAC[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(Cn2cc(Br)c([N+](=O)[O-])n2)n1
InChIInChI=1S/C9H10BrN7O2/c1-5-2-7(14-11)13-8(12-5)4-16-3-6(10)9(15-16)17(18)19/h2-3H,4,11H2,1H3,(H,12,13,14)
InChIKeyYAQLIHUNMGLOCT-UHFFFAOYSA-N
MW328.13 g/mol
LogP0.99
Rot. Bonds4

About [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine

[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine (PubChem CID 80655585) has the molecular formula C9H10BrN7O2 and a molecular weight of 328.13 g/mol. Its IUPAC name is [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
PubChem CID80655585
Molecular FormulaC9H10BrN7O2
Molecular Weight328.13 g/mol
Exact Mass327.01
IUPAC Name[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine
SMILESCc1cc(NN)nc(Cn2cc(Br)c([N+](=O)[O-])n2)n1
InChIInChI=1S/C9H10BrN7O2/c1-5-2-7(14-11)13-8(12-5)4-16-3-6(10)9(15-16)17(18)19/h2-3H,4,11H2,1H3,(H,12,13,14)
InChIKeyYAQLIHUNMGLOCT-UHFFFAOYSA-N
XLogP0.99
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine (CID 80655585) is [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine is Cc1cc(NN)nc(Cn2cc(Br)c([N+](=O)[O-])n2)n1.
What is the InChIKey of [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
The InChIKey is YAQLIHUNMGLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN7O2/c1-5-2-7(14-11)13-8(12-5)4-16-3-6(10)9(15-16)17(18)19/h2-3H,4,11H2,1H3,(H,12,13,14).
What are the key properties of [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine?
[2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine has a molecular weight of 328.13 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-bromo-3-nitropyrazol-1-yl)methyl]-6-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80655585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).