3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

C20H27N3O2 — CID 118867836

IUPAC3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCc1cncc(OCC2CCCCC2c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H27N3O2/c1-14(2)23-19(8-9-22-23)17-7-5-4-6-16(17)13-25-20-11-21-10-15(3)18(20)12-24/h8-12,14,16-17H,4-7,13H2,1-3H3
InChIKeyWSKCSBHZGBDDKJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.33
Rot. Bonds6

About 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 118867836) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID118867836
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCc1cncc(OCC2CCCCC2c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C20H27N3O2/c1-14(2)23-19(8-9-22-23)17-7-5-4-6-16(17)13-25-20-11-21-10-15(3)18(20)12-24/h8-12,14,16-17H,4-7,13H2,1-3H3
InChIKeyWSKCSBHZGBDDKJ-UHFFFAOYSA-N
XLogP4.33
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
2-hydroxy-6-[[4-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methoxy]benzaldehyde
CID 86295210
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 85471436
2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
CID 90434189
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
3-chloro-5-[[2-(2-methoxy-3-pyridinyl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434047
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212
5-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 118867819

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 118867836) is 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is Cc1cncc(OCC2CCCCC2c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is WSKCSBHZGBDDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)23-19(8-9-22-23)17-7-5-4-6-16(17)13-25-20-11-21-10-15(3)18(20)12-24/h8-12,14,16-17H,4-7,13H2,1-3H3.
What are the key properties of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 341.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 118867836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).