[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine

C10H13BrN6O — CID 116806928

IUPAC[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
SMILESCC(C)n1cc(Oc2nc(NN)ncc2Br)cn1
InChIInChI=1S/C10H13BrN6O/c1-6(2)17-5-7(3-14-17)18-9-8(11)4-13-10(15-9)16-12/h3-6H,12H2,1-2H3,(H,13,15,16)
InChIKeyZXUCVWGUSFNSBW-UHFFFAOYSA-N
MW313.16 g/mol
LogP2.09
Rot. Bonds4

About [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine

[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine (PubChem CID 116806928) has the molecular formula C10H13BrN6O and a molecular weight of 313.16 g/mol. Its IUPAC name is [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
PubChem CID116806928
Molecular FormulaC10H13BrN6O
Molecular Weight313.16 g/mol
Exact Mass312.03
IUPAC Name[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine
SMILESCC(C)n1cc(Oc2nc(NN)ncc2Br)cn1
InChIInChI=1S/C10H13BrN6O/c1-6(2)17-5-7(3-14-17)18-9-8(11)4-13-10(15-9)16-12/h3-6H,12H2,1-2H3,(H,13,15,16)
InChIKeyZXUCVWGUSFNSBW-UHFFFAOYSA-N
XLogP2.09
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine (CID 116806928) is [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine is CC(C)n1cc(Oc2nc(NN)ncc2Br)cn1.
What is the InChIKey of [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine?
The InChIKey is ZXUCVWGUSFNSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6O/c1-6(2)17-5-7(3-14-17)18-9-8(11)4-13-10(15-9)16-12/h3-6H,12H2,1-2H3,(H,13,15,16).
What are the key properties of [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine?
[5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine has a molecular weight of 313.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-2-yl]hydrazine is sourced from PubChem (CID 116806928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).