2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde

C20H25FN2O2 — CID 86273139

IUPAC2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-2-12-23-19(10-11-22-23)16-7-4-3-6-15(16)14-25-20-9-5-8-18(21)17(20)13-24/h5,8-11,13,15-16H,2-4,6-7,12,14H2,1H3
InChIKeyRRJHIYKGCOVLEK-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.60
Rot. Bonds7

About 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde

2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde (PubChem CID 86273139) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
PubChem CID86273139
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C20H25FN2O2/c1-2-12-23-19(10-11-22-23)16-7-4-3-6-15(16)14-25-20-9-5-8-18(21)17(20)13-24/h5,8-11,13,15-16H,2-4,6-7,12,14H2,1H3
InChIKeyRRJHIYKGCOVLEK-UHFFFAOYSA-N
XLogP4.60
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(tert-butyl)-1H-pyrazol-4-yl][2-(3-fluoropropoxy)phenyl]methanone
CID 2768408
(1-((1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)(3-isopropoxyphenyl)methanone
CID 16191661
5-Fluoro-2-[[1-[(2-methoxyphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168286552
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1224532
5-(3-(2-(4-fluoro-2-methylphenoxy) ethoxy)phenyl)-1-methyl-1H-pyrazole
CID 138471374
4-Fluoro-2-[[1-[(2-methoxyphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168276452
5-Fluoro-2-[[1-[(2-methylphenyl)methyl]triazol-4-yl]methoxy]benzaldehyde
CID 168276596
2-Fluoro-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 71621777
2-[[2-(2-Propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 129115739
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-4H-chromen-4-one
CID 2823475
2-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292673
4-[1-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-(2-methoxybenzoyl)piperidine
CID 53149284

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde (CID 86273139) is 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde is CCCn1nccc1C1CCCCC1COc1cccc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
The InChIKey is RRJHIYKGCOVLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-2-12-23-19(10-11-22-23)16-7-4-3-6-15(16)14-25-20-9-5-8-18(21)17(20)13-24/h5,8-11,13,15-16H,2-4,6-7,12,14H2,1H3.
What are the key properties of 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde?
2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde has a molecular weight of 344.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]benzaldehyde is sourced from PubChem (CID 86273139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).