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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Related Compounds

2-[1-[(3-bromophenyl)methyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-5-yl]propan-2-ol
CID 140753812
3-tert-butyl-1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazol-5-amine
CID 58532546
[5-(3-bromophenyl)furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 19006181
1-(3-bromophenyl)-3-(4-bromophenyl)pyrazol-5-amine
CID 43542754
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
1-(3-bromophenyl)-3-(3-methoxyphenyl)pyrazol-5-amine
CID 43542770
1-(3-bromophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 43542763
1-[(3-bromophenyl)methyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
CID 140753775
2-(3-bromophenyl)ethoxy-tert-butyl-dimethylsilane
CID 11515183
2-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]ethanamine
CID 82093865
[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
CID 140798469
3-(2,2-dimethylpropyl)-1-(3-nitrophenyl)pyrazol-5-amine
CID 61210624

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).