[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol

C20H28N2O3 — CID 135230550

IUPAC[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
SMILESCCOC(O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C20H28N2O3/c1-2-24-20(23)18-13-19(25-15-17-11-7-4-8-12-17)22(21-18)14-16-9-5-3-6-10-16/h4,7-8,11-13,16,20,23H,2-3,5-6,9-10,14-15H2,1H3
InChIKeyLXBGAGMJXNYMKD-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.07
Rot. Bonds8

About [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol

[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol (PubChem CID 135230550) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
PubChem CID135230550
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol
SMILESCCOC(O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1
InChIInChI=1S/C20H28N2O3/c1-2-24-20(23)18-13-19(25-15-17-11-7-4-8-12-17)22(21-18)14-16-9-5-3-6-10-16/h4,7-8,11-13,16,20,23H,2-3,5-6,9-10,14-15H2,1H3
InChIKeyLXBGAGMJXNYMKD-UHFFFAOYSA-N
XLogP4.07
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol with MolForge

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

Launch Full Analysis

Related Compounds

(2S,3R,4S,5S,6R)-2-[1-ethyl-5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 9824332
3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-1-propylpyrazole
CID 9846587
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
US11576897, Example 20
CID 56600157
US10183913, Example 33
CID 56600546
US10183913, Example 330
CID 66665535
US11576897, Example 292
CID 66665153
US10183913, Example 192
CID 66665432
3-(1-benzyl-3-phenylpyrazol-5-yl)oxy-N,N-dimethylpropan-1-amine
CID 10568821
US10183913, Example 5
CID 56600156
US10183913, Example 42
CID 56600351
US10183913, Example 3
CID 66665232

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol?
The IUPAC name of [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol (CID 135230550) is [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol.
What is the SMILES notation for [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol?
The canonical SMILES for [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol is CCOC(O)c1cc(OCc2ccccc2)n(CC2CCCCC2)n1.
What is the InChIKey of [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol?
The InChIKey is LXBGAGMJXNYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-24-20(23)18-13-19(25-15-17-11-7-4-8-12-17)22(21-18)14-16-9-5-3-6-10-16/h4,7-8,11-13,16,20,23H,2-3,5-6,9-10,14-15H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol?
[1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol has a molecular weight of 344.46 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-5-phenylmethoxypyrazol-3-yl]-ethoxymethanol is sourced from PubChem (CID 135230550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).