[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane

C15H21N5Si — CID 10063342

IUPAC[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane
SMILESCc1n[nH]c(C)c1C(n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C15H21N5Si/c1-10-14(11(2)17-16-10)15(21(3,4)5)20-13-9-7-6-8-12(13)18-19-20/h6-9,15H,1-5H3,(H,16,17)
InChIKeyMPLCCAXDPAFKOG-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.24
Rot. Bonds3

About [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane

[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane (PubChem CID 10063342) has the molecular formula C15H21N5Si and a molecular weight of 299.45 g/mol. Its IUPAC name is [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane.

Molecular Properties

Compound Name[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane
PubChem CID10063342
Molecular FormulaC15H21N5Si
Molecular Weight299.45 g/mol
Exact Mass299.16
IUPAC Name[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane
SMILESCc1n[nH]c(C)c1C(n1nnc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C15H21N5Si/c1-10-14(11(2)17-16-10)15(21(3,4)5)20-13-9-7-6-8-12(13)18-19-20/h6-9,15H,1-5H3,(H,16,17)
InChIKeyMPLCCAXDPAFKOG-UHFFFAOYSA-N
XLogP3.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.24
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

4-[benzotriazol-1-yl(trimethylsilyl)methyl]-N,N-dimethylaniline
CID 3784942
[benzotriazol-1-yl(methoxy)methyl]-trimethylsilane
CID 3780985
1-[2-(benzotriazol-1-yl)-1,2-bis(phenylsulfanyl)ethyl]benzotriazole
CID 3750406
[benzotriazol-1-yl(phenylsulfanyl)methyl]-trimethylsilane
CID 4270717
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]azanium
CID 7219711
4-[[(1S,2R)-1,2-bis(benzotriazol-1-yl)-2-(4-hydroxyanilino)ethyl]amino]phenol
CID 27191099
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
4-(benzimidazol-1-yl)-N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrimidin-2-amine
CID 18342873
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901

Frequently Asked Questions

What is the IUPAC name of [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane?
The IUPAC name of [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane (CID 10063342) is [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane.
What is the SMILES notation for [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane?
The canonical SMILES for [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane is Cc1n[nH]c(C)c1C(n1nnc2ccccc21)[Si](C)(C)C.
What is the InChIKey of [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane?
The InChIKey is MPLCCAXDPAFKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5Si/c1-10-14(11(2)17-16-10)15(21(3,4)5)20-13-9-7-6-8-12(13)18-19-20/h6-9,15H,1-5H3,(H,16,17).
What are the key properties of [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane?
[benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane has a molecular weight of 299.45 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzotriazol-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-trimethylsilane is sourced from PubChem (CID 10063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).