1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid

C16H28N2O3Si — CID 155895758

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H28N2O3Si/c1-16(2,3)22(4,5)21-14-8-6-13(7-9-14)18-11-12(10-17-18)15(19)20/h10-11,13-14H,6-9H2,1-5H3,(H,19,20)
InChIKeyLESMHZVBPQNTNV-UHFFFAOYSA-N
MW324.50 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid

1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid (PubChem CID 155895758) has the molecular formula C16H28N2O3Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
PubChem CID155895758
Molecular FormulaC16H28N2O3Si
Molecular Weight324.50 g/mol
Exact Mass324.19
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2cc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H28N2O3Si/c1-16(2,3)22(4,5)21-14-8-6-13(7-9-14)18-11-12(10-17-18)15(19)20/h10-11,13-14H,6-9H2,1-5H3,(H,19,20)
InChIKeyLESMHZVBPQNTNV-UHFFFAOYSA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid (CID 155895758) is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CCC(n2cc(C(=O)O)cn2)CC1.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid?
The InChIKey is LESMHZVBPQNTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3Si/c1-16(2,3)22(4,5)21-14-8-6-13(7-9-14)18-11-12(10-17-18)15(19)20/h10-11,13-14H,6-9H2,1-5H3,(H,19,20).
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid?
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid has a molecular weight of 324.50 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 155895758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).