2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

C20H27N3O3 — CID 118867847

IUPAC2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cnc(OC)cc1C=O
InChIInChI=1S/C20H27N3O3/c1-3-10-23-18(8-9-22-23)17-7-5-4-6-15(17)14-26-19-12-21-20(25-2)11-16(19)13-24/h8-9,11-13,15,17H,3-7,10,14H2,1-2H3
InChIKeyCVGIXRKUFLSPKK-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.86
Rot. Bonds8

About 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 118867847) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID118867847
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cnc(OC)cc1C=O
InChIInChI=1S/C20H27N3O3/c1-3-10-23-18(8-9-22-23)17-7-5-4-6-15(17)14-26-19-12-21-20(25-2)11-16(19)13-24/h8-9,11-13,15,17H,3-7,10,14H2,1-2H3
InChIKeyCVGIXRKUFLSPKK-UHFFFAOYSA-N
XLogP3.86
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 118867847) is 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is CCCn1nccc1C1CCCCC1COc1cnc(OC)cc1C=O.
What is the InChIKey of 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is CVGIXRKUFLSPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-10-23-18(8-9-22-23)17-7-5-4-6-15(17)14-26-19-12-21-20(25-2)11-16(19)13-24/h8-9,11-13,15,17H,3-7,10,14H2,1-2H3.
What are the key properties of 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 357.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 118867847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).