3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde

C14H24N2O2Si — CID 171529389

IUPAC3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC2CC2)cc1C=O
InChIInChI=1S/C14H24N2O2Si/c1-19(2,3)7-6-18-11-16-14(10-17)9-13(15-16)8-12-4-5-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyINSJTFZUSPOZNR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.96
Rot. Bonds8

About 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde

3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde (PubChem CID 171529389) has the molecular formula C14H24N2O2Si and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
PubChem CID171529389
Molecular FormulaC14H24N2O2Si
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(CC2CC2)cc1C=O
InChIInChI=1S/C14H24N2O2Si/c1-19(2,3)7-6-18-11-16-14(10-17)9-13(15-16)8-12-4-5-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyINSJTFZUSPOZNR-UHFFFAOYSA-N
XLogP2.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)pyrazole-3,5-dicarbaldehyde
CID 164719027
3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
CID 58407607
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
[5-cyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]boronic acid
CID 170903552
[(1S,5R)-8-azabicyclo[3.2.1]octan-8-yl]-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone
CID 175726978
methyl 5-methyl-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 171830742
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
3-(1-methoxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carboxylic acid
CID 140816137
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
5-(oxolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-amine
CID 174140306

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde?
The IUPAC name of 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde (CID 171529389) is 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde is C[Si](C)(C)CCOCn1nc(CC2CC2)cc1C=O.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde?
The InChIKey is INSJTFZUSPOZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2Si/c1-19(2,3)7-6-18-11-16-14(10-17)9-13(15-16)8-12-4-5-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde?
3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde has a molecular weight of 280.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbaldehyde is sourced from PubChem (CID 171529389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).