3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde

C21H25N3O3 — CID 90434224

IUPAC3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1=C(c2ccnn2C2CCCC2)CCCC1
InChIInChI=1S/C21H25N3O3/c25-13-18-20(26)11-22-12-21(18)27-14-15-5-1-4-8-17(15)19-9-10-23-24(19)16-6-2-3-7-16/h9-13,16,26H,1-8,14H2
InChIKeyBTCJRBBOCGWSIS-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.32
Rot. Bonds6

About 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde

3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde (PubChem CID 90434224) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
PubChem CID90434224
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
SMILESO=Cc1c(O)cncc1OCC1=C(c2ccnn2C2CCCC2)CCCC1
InChIInChI=1S/C21H25N3O3/c25-13-18-20(26)11-22-12-21(18)27-14-15-5-1-4-8-17(15)19-9-10-23-24(19)16-6-2-3-7-16/h9-13,16,26H,1-8,14H2
InChIKeyBTCJRBBOCGWSIS-UHFFFAOYSA-N
XLogP4.32
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.32
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-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90434153
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 90434278
2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 90448315
3-[[2-(2-chloro-3-pyridinyl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434143
2-methoxy-5-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90428189
3-chloro-6-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]-2-hydroxybenzaldehyde
CID 90427242
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
CID 90444133
3-hydroxy-5-[(2-phenylcyclohexyl)methoxy]pyridine-4-carbaldehyde
CID 90426908
5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-3H-isoindole-4-carbaldehyde
CID 118372104
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434212

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The IUPAC name of 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde (CID 90434224) is 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The canonical SMILES for 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde is O=Cc1c(O)cncc1OCC1=C(c2ccnn2C2CCCC2)CCCC1.
What is the InChIKey of 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
The InChIKey is BTCJRBBOCGWSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-13-18-20(26)11-22-12-21(18)27-14-15-5-1-4-8-17(15)19-9-10-23-24(19)16-6-2-3-7-16/h9-13,16,26H,1-8,14H2.
What are the key properties of 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde?
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde has a molecular weight of 367.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde is sourced from PubChem (CID 90434224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).