1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine

C14H29N3O2Si — CID 175542314

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine
SMILESCOCC(Cn1cc(N)c(C)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29N3O2Si/c1-11-13(15)9-17(16-11)8-12(10-18-5)19-20(6,7)14(2,3)4/h9,12H,8,10,15H2,1-7H3
InChIKeyOXPQBQWDDDLMPS-UHFFFAOYSA-N
MW299.49 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine

1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine (PubChem CID 175542314) has the molecular formula C14H29N3O2Si and a molecular weight of 299.49 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine
PubChem CID175542314
Molecular FormulaC14H29N3O2Si
Molecular Weight299.49 g/mol
Exact Mass299.20
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine
SMILESCOCC(Cn1cc(N)c(C)n1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29N3O2Si/c1-11-13(15)9-17(16-11)8-12(10-18-5)19-20(6,7)14(2,3)4/h9,12H,8,10,15H2,1-7H3
InChIKeyOXPQBQWDDDLMPS-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-amino-3-methylpyrazol-1-yl)-2-hydroxypropanoate
CID 165472981
1-[2-(3-methoxypropoxy)ethyl]-3-methylpyrazol-4-amine
CID 165472982
3-(4-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropanenitrile
CID 90104790
1-(2-fluoroethyl)-3-methylpyrazol-4-amine
CID 86207976
tert-butyl-[1-[(6-chloro-3-pyridinyl)oxy]-3-methoxypropan-2-yl]oxy-dimethylsilane
CID 87132435
1-[(2,2-dimethylcyclopropyl)methyl]-3-methylpyrazol-4-amine
CID 165472336
1-(2-methoxybutyl)-4-methylpyrazol-3-amine
CID 165479453
(2R)-1-methoxy-3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-2-ol
CID 171655962
4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-2-amine
CID 87544194
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-1-pyridin-2-ylbutan-2-amine
CID 140879240
2-tert-butyl-5-[1-[tert-butyl(dimethyl)silyl]oxyethyl]aniline
CID 139706247
1-[2,4-bis(methoxymethoxy)phenyl]ethoxy-tert-butyl-dimethylsilane
CID 152674428

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine (CID 175542314) is 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine is COCC(Cn1cc(N)c(C)n1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine?
The InChIKey is OXPQBQWDDDLMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2Si/c1-11-13(15)9-17(16-11)8-12(10-18-5)19-20(6,7)14(2,3)4/h9,12H,8,10,15H2,1-7H3.
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine?
1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine has a molecular weight of 299.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-3-methylpyrazol-4-amine is sourced from PubChem (CID 175542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).