2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde

C19H23FN2O2 — CID 86273387

IUPAC2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
SMILESCCn1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C19H23FN2O2/c1-2-22-18(10-11-21-22)15-7-4-3-6-14(15)13-24-19-9-5-8-17(20)16(19)12-23/h5,8-12,14-15H,2-4,6-7,13H2,1H3
InChIKeyLDTLYBQEXKGCPT-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.21
Rot. Bonds6

About 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde

2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde (PubChem CID 86273387) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
PubChem CID86273387
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
SMILESCCn1nccc1C1CCCCC1COc1cccc(F)c1C=O
InChIInChI=1S/C19H23FN2O2/c1-2-22-18(10-11-21-22)15-7-4-3-6-14(15)13-24-19-9-5-8-17(20)16(19)12-23/h5,8-12,14-15H,2-4,6-7,13H2,1H3
InChIKeyLDTLYBQEXKGCPT-UHFFFAOYSA-N
XLogP4.21
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.21
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-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The IUPAC name of 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde (CID 86273387) is 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde.
What is the SMILES notation for 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The canonical SMILES for 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde is CCn1nccc1C1CCCCC1COc1cccc(F)c1C=O.
What is the InChIKey of 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The InChIKey is LDTLYBQEXKGCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-2-22-18(10-11-21-22)15-7-4-3-6-14(15)13-24-19-9-5-8-17(20)16(19)12-23/h5,8-12,14-15H,2-4,6-7,13H2,1H3.
What are the key properties of 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde has a molecular weight of 330.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde is sourced from PubChem (CID 86273387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).