ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate

C15H26N2O2Si — CID 150892596

IUPACethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCC=[Si](C)CC(C)(C)C)[nH]n1
InChIInChI=1S/C15H26N2O2Si/c1-6-19-14(18)13-10-12(16-17-13)8-7-9-20(5)11-15(2,3)4/h9-10H,6-8,11H2,1-5H3,(H,16,17)
InChIKeyKYIFNBRFSQCBKQ-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.07
Rot. Bonds6

About ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate

ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate (PubChem CID 150892596) has the molecular formula C15H26N2O2Si and a molecular weight of 294.47 g/mol. Its IUPAC name is ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate
PubChem CID150892596
Molecular FormulaC15H26N2O2Si
Molecular Weight294.47 g/mol
Exact Mass294.18
IUPAC Nameethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCC=[Si](C)CC(C)(C)C)[nH]n1
InChIInChI=1S/C15H26N2O2Si/c1-6-19-14(18)13-10-12(16-17-13)8-7-9-20(5)11-15(2,3)4/h9-10H,6-8,11H2,1-5H3,(H,16,17)
InChIKeyKYIFNBRFSQCBKQ-UHFFFAOYSA-N
XLogP3.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 5-(3-bromopropyl)-1H-pyrazole-3-carboxylate
CID 54326047
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
acetylene;ethyl 5-methyl-1H-pyrazole-3-carboxylate
CID 164570952
ethane;ethyl 5-bromo-1H-pyrazole-3-carboxylate
CID 169144775
ethyl 5-pentan-3-yl-1H-pyrazole-3-carboxylate
CID 71624416
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
CID 11975148
tert-butyl 4-[(3-ethoxycarbonyl-1H-pyrazol-5-yl)methyl]piperazine-1-carboxylate
CID 134413991
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55601702
methyl 5-butyl-1H-pyrazole-3-carboxylate
CID 82634404
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55563304

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate (CID 150892596) is ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(CCC=[Si](C)CC(C)(C)C)[nH]n1.
What is the InChIKey of ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate?
The InChIKey is KYIFNBRFSQCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2Si/c1-6-19-14(18)13-10-12(16-17-13)8-7-9-20(5)11-15(2,3)4/h9-10H,6-8,11H2,1-5H3,(H,16,17).
What are the key properties of ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate?
ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate has a molecular weight of 294.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[2,2-dimethylpropyl(methyl)silylidene]propyl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 150892596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).