1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine

C16H24BrN3OSi — CID 176757799

IUPAC1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(N)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C16H24BrN3OSi/c1-16(2,3)22(4,5)21-11-13-10-15(18)20(19-13)14-8-6-7-12(17)9-14/h6-10H,11,18H2,1-5H3
InChIKeyQDSQMODNGHYYBI-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.74
Rot. Bonds4

About 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine

1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine (PubChem CID 176757799) has the molecular formula C16H24BrN3OSi and a molecular weight of 382.38 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine
PubChem CID176757799
Molecular FormulaC16H24BrN3OSi
Molecular Weight382.38 g/mol
Exact Mass381.09
IUPAC Name1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(N)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C16H24BrN3OSi/c1-16(2,3)22(4,5)21-11-13-10-15(18)20(19-13)14-8-6-7-12(17)9-14/h6-10H,11,18H2,1-5H3
InChIKeyQDSQMODNGHYYBI-UHFFFAOYSA-N
XLogP4.74
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine?
The IUPAC name of 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine (CID 176757799) is 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine is CC(C)(C)[Si](C)(C)OCc1cc(N)n(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine?
The InChIKey is QDSQMODNGHYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3OSi/c1-16(2,3)22(4,5)21-11-13-10-15(18)20(19-13)14-8-6-7-12(17)9-14/h6-10H,11,18H2,1-5H3.
What are the key properties of 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine?
1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine has a molecular weight of 382.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-amine is sourced from PubChem (CID 176757799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).