2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde

C19H21N3O3 — CID 90448315

IUPAC2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1=C(c2ccnn2C2CC2)CNCC1
InChIInChI=1S/C19H21N3O3/c23-11-16-18(24)2-1-3-19(16)25-12-13-6-8-20-10-15(13)17-7-9-21-22(17)14-4-5-14/h1-3,7,9,11,14,20,24H,4-6,8,10,12H2
InChIKeyAOTYBMVYVDXOGK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.56
Rot. Bonds6

About 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde

2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 90448315) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
PubChem CID90448315
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1=C(c2ccnn2C2CC2)CNCC1
InChIInChI=1S/C19H21N3O3/c23-11-16-18(24)2-1-3-19(16)25-12-13-6-8-20-10-15(13)17-7-9-21-22(17)14-4-5-14/h1-3,7,9,11,14,20,24H,4-6,8,10,12H2
InChIKeyAOTYBMVYVDXOGK-UHFFFAOYSA-N
XLogP2.56
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434224
2-fluoro-6-[[5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]benzaldehyde
CID 90448278
2-[[2-acetyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 90456754
2-hydroxy-6-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]benzaldehyde
CID 90434196
2-hydroxy-6-[[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]benzaldehyde
CID 90456903
2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 139562123
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-6-methylpyridine-2-carbaldehyde
CID 90434278
2-[[7-(2-cyclopropylpyrazol-3-yl)-3-oxabicyclo[4.1.0]heptan-6-yl]methoxy]-6-hydroxybenzaldehyde
CID 123465813
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
2-ethenyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]phenol
CID 90444133
3-hydroxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 90434153
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde (CID 90448315) is 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCC1=C(c2ccnn2C2CC2)CNCC1.
What is the InChIKey of 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is AOTYBMVYVDXOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-11-16-18(24)2-1-3-19(16)25-12-13-6-8-20-10-15(13)17-7-9-21-22(17)14-4-5-14/h1-3,7,9,11,14,20,24H,4-6,8,10,12H2.
What are the key properties of 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde?
2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 339.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 90448315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).