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

C20H23FN2O2 — CID 86273621

IUPAC2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1CC1
InChIInChI=1S/C20H23FN2O2/c21-18-6-3-7-20(17(18)12-24)25-13-14-4-1-2-5-16(14)19-10-11-22-23(19)15-8-9-15/h3,6-7,10-12,14-16H,1-2,4-5,8-9,13H2
InChIKeyWNZJUNNSNAEBQD-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.52
Rot. Bonds6

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

2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde (PubChem CID 86273621) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
PubChem CID86273621
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1CC1
InChIInChI=1S/C20H23FN2O2/c21-18-6-3-7-20(17(18)12-24)25-13-14-4-1-2-5-16(14)19-10-11-22-23(19)15-8-9-15/h3,6-7,10-12,14-16H,1-2,4-5,8-9,13H2
InChIKeyWNZJUNNSNAEBQD-UHFFFAOYSA-N
XLogP4.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The IUPAC name of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde (CID 86273621) is 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde.
What is the SMILES notation for 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The canonical SMILES for 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde is O=Cc1c(F)cccc1OCC1CCCCC1c1ccnn1C1CC1.
What is the InChIKey of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
The InChIKey is WNZJUNNSNAEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-6-3-7-20(17(18)12-24)25-13-14-4-1-2-5-16(14)19-10-11-22-23(19)15-8-9-15/h3,6-7,10-12,14-16H,1-2,4-5,8-9,13H2.
What are the key properties of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde?
2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde has a molecular weight of 342.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde is sourced from PubChem (CID 86273621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).