1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide

C20H32N4O3Si — CID 177070458

IUPAC1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide
SMILESCc1nn(CCO[Si](C)(C)C(C)(C)C)c(C(=O)NN)c1OCc1ccccc1
InChIInChI=1S/C20H32N4O3Si/c1-15-18(26-14-16-10-8-7-9-11-16)17(19(25)22-21)24(23-15)12-13-27-28(5,6)20(2,3)4/h7-11H,12-14,21H2,1-6H3,(H,22,25)
InChIKeyVTCTZYGHINSGGT-UHFFFAOYSA-N
MW404.59 g/mol
LogP3.40
Rot. Bonds8

About 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide

1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide (PubChem CID 177070458) has the molecular formula C20H32N4O3Si and a molecular weight of 404.59 g/mol. Its IUPAC name is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide
PubChem CID177070458
Molecular FormulaC20H32N4O3Si
Molecular Weight404.59 g/mol
Exact Mass404.22
IUPAC Name1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide
SMILESCc1nn(CCO[Si](C)(C)C(C)(C)C)c(C(=O)NN)c1OCc1ccccc1
InChIInChI=1S/C20H32N4O3Si/c1-15-18(26-14-16-10-8-7-9-11-16)17(19(25)22-21)24(23-15)12-13-27-28(5,6)20(2,3)4/h7-11H,12-14,21H2,1-6H3,(H,22,25)
InChIKeyVTCTZYGHINSGGT-UHFFFAOYSA-N
XLogP3.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.59
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide?
The IUPAC name of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide (CID 177070458) is 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide.
What is the SMILES notation for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide?
The canonical SMILES for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide is Cc1nn(CCO[Si](C)(C)C(C)(C)C)c(C(=O)NN)c1OCc1ccccc1.
What is the InChIKey of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide?
The InChIKey is VTCTZYGHINSGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3Si/c1-15-18(26-14-16-10-8-7-9-11-16)17(19(25)22-21)24(23-15)12-13-27-28(5,6)20(2,3)4/h7-11H,12-14,21H2,1-6H3,(H,22,25).
What are the key properties of 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide?
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide has a molecular weight of 404.59 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyl-4-phenylmethoxypyrazole-5-carbohydrazide is sourced from PubChem (CID 177070458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).