2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde

C19H22N2O4 — CID 139562123

IUPAC2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1CCOCC1c1ccnn1C1CC1
InChIInChI=1S/C19H22N2O4/c22-10-15-18(23)2-1-3-19(15)25-11-13-7-9-24-12-16(13)17-6-8-20-21(17)14-4-5-14/h1-3,6,8,10,13-14,16,23H,4-5,7,9,11-12H2
InChIKeyFAQBDJHHYTVLAU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.94
Rot. Bonds6

About 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde

2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 139562123) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
PubChem CID139562123
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCC1CCOCC1c1ccnn1C1CC1
InChIInChI=1S/C19H22N2O4/c22-10-15-18(23)2-1-3-19(15)25-11-13-7-9-24-12-16(13)17-6-8-20-21(17)14-4-5-14/h1-3,6,8,10,13-14,16,23H,4-5,7,9,11-12H2
InChIKeyFAQBDJHHYTVLAU-UHFFFAOYSA-N
XLogP2.94
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.94
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

2-[[7-(2-cyclopropylpyrazol-3-yl)-3-oxabicyclo[4.1.0]heptan-6-yl]methoxy]-6-hydroxybenzaldehyde
CID 123465813
2-hydroxy-6-[[4-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]methoxy]benzaldehyde
CID 86295210
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
CID 144715609
2-hydroxy-6-[[(1S,2S,4R)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl]methoxy]benzaldehyde
CID 118072799
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
2-[[5-(2-cyclopropylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 90448315
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde (CID 139562123) is 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCC1CCOCC1c1ccnn1C1CC1.
What is the InChIKey of 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is FAQBDJHHYTVLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-10-15-18(23)2-1-3-19(15)25-11-13-7-9-24-12-16(13)17-6-8-20-21(17)14-4-5-14/h1-3,6,8,10,13-14,16,23H,4-5,7,9,11-12H2.
What are the key properties of 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde?
2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 342.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 139562123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).