(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol

C15H24BrN5O3Si — CID 164719197

IUPAC(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol
SMILESCn1ncc(C(O)c2cc(C=NO)n(COCC[Si](C)(C)C)n2)c1Br
InChIInChI=1S/C15H24BrN5O3Si/c1-20-15(16)12(9-17-20)14(22)13-7-11(8-18-23)21(19-13)10-24-5-6-25(2,3)4/h7-9,14,22-23H,5-6,10H2,1-4H3
InChIKeyFNHXLTUGHOFASX-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.58
Rot. Bonds8

About (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol

(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol (PubChem CID 164719197) has the molecular formula C15H24BrN5O3Si and a molecular weight of 430.38 g/mol. Its IUPAC name is (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol
PubChem CID164719197
Molecular FormulaC15H24BrN5O3Si
Molecular Weight430.38 g/mol
Exact Mass429.08
IUPAC Name(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol
SMILESCn1ncc(C(O)c2cc(C=NO)n(COCC[Si](C)(C)C)n2)c1Br
InChIInChI=1S/C15H24BrN5O3Si/c1-20-15(16)12(9-17-20)14(22)13-7-11(8-18-23)21(19-13)10-24-5-6-25(2,3)4/h7-9,14,22-23H,5-6,10H2,1-4H3
InChIKeyFNHXLTUGHOFASX-UHFFFAOYSA-N
XLogP2.58
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol?
The IUPAC name of (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol (CID 164719197) is (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol?
The canonical SMILES for (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol is Cn1ncc(C(O)c2cc(C=NO)n(COCC[Si](C)(C)C)n2)c1Br.
What is the InChIKey of (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol?
The InChIKey is FNHXLTUGHOFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN5O3Si/c1-20-15(16)12(9-17-20)14(22)13-7-11(8-18-23)21(19-13)10-24-5-6-25(2,3)4/h7-9,14,22-23H,5-6,10H2,1-4H3.
What are the key properties of (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol?
(5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol has a molecular weight of 430.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-methylpyrazol-4-yl)-[5-(hydroxyiminomethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 164719197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).