3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde

C18H21F2N3O3 — CID 90434268

IUPAC3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccnn1CC(F)F
InChIInChI=1S/C18H21F2N3O3/c19-18(20)9-23-15(5-6-22-23)13-4-2-1-3-12(13)11-26-17-8-21-7-16(25)14(17)10-24/h5-8,10,12-13,18,25H,1-4,9,11H2
InChIKeyHDYHAHDJWNORIL-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.41
Rot. Bonds7

About 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde

3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde (PubChem CID 90434268) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
PubChem CID90434268
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1CCCCC1c1ccnn1CC(F)F
InChIInChI=1S/C18H21F2N3O3/c19-18(20)9-23-15(5-6-22-23)13-4-2-1-3-12(13)11-26-17-8-21-7-16(25)14(17)10-24/h5-8,10,12-13,18,25H,1-4,9,11H2
InChIKeyHDYHAHDJWNORIL-UHFFFAOYSA-N
XLogP3.41
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434163
5-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 118867819
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045546
ethane;3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)-1,5-dihydropyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 145045545
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
2-fluoro-6-[[2-(3-propan-2-ylimidazol-4-yl)cyclohexyl]methoxy]benzaldehyde
CID 90434189
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde (CID 90434268) is 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde is O=Cc1c(O)cncc1OCC1CCCCC1c1ccnn1CC(F)F.
What is the InChIKey of 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The InChIKey is HDYHAHDJWNORIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c19-18(20)9-23-15(5-6-22-23)13-4-2-1-3-12(13)11-26-17-8-21-7-16(25)14(17)10-24/h5-8,10,12-13,18,25H,1-4,9,11H2.
What are the key properties of 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde has a molecular weight of 365.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 90434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).