5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde

C19H21N3O3 — CID 144710030

IUPAC5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]cc1OCC1CCC=CC1c1ccnn1C1CC1
InChIInChI=1S/C19H21N3O3/c23-11-14-9-19(24)20-10-18(14)25-12-13-3-1-2-4-16(13)17-7-8-21-22(17)15-5-6-15/h2,4,7-11,13,15-16H,1,3,5-6,12H2,(H,20,24)
InChIKeyYKHXAFPJBZTIPL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.85
Rot. Bonds6

About 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde

5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde (PubChem CID 144710030) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
PubChem CID144710030
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
SMILESO=Cc1cc(=O)[nH]cc1OCC1CCC=CC1c1ccnn1C1CC1
InChIInChI=1S/C19H21N3O3/c23-11-14-9-19(24)20-10-18(14)25-12-13-3-1-2-4-16(13)17-7-8-21-22(17)15-5-6-15/h2,4,7-11,13,15-16H,1,3,5-6,12H2,(H,20,24)
InChIKeyYKHXAFPJBZTIPL-UHFFFAOYSA-N
XLogP2.85
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 118867819
5-[[2-(1-cyclopentyl-2-methyl-3H-pyrazol-5-yl)cyclohexyl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 145045424
2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 139562123
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 118867797
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde
CID 123732373
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
2-[[7-(2-cyclopropylpyrazol-3-yl)-3-oxabicyclo[4.1.0]heptan-6-yl]methoxy]-6-hydroxybenzaldehyde
CID 123465813
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde (CID 144710030) is 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde is O=Cc1cc(=O)[nH]cc1OCC1CCC=CC1c1ccnn1C1CC1.
What is the InChIKey of 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde?
The InChIKey is YKHXAFPJBZTIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-11-14-9-19(24)20-10-18(14)25-12-13-3-1-2-4-16(13)17-7-8-21-22(17)15-5-6-15/h2,4,7-11,13,15-16H,1,3,5-6,12H2,(H,20,24).
What are the key properties of 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde?
5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde has a molecular weight of 339.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 144710030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).