2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde

C20H25FN2O2 — CID 123732373

IUPAC2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=C(OCC2CCCCC2c2ccnn2C2CC2)C=CCC1F
InChIInChI=1S/C20H25FN2O2/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/h3,7,10-12,14-16,18H,1-2,4-6,8-9,13H2
InChIKeyHMPAVUMGQNXUQH-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.26
Rot. Bonds6

About 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde

2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 123732373) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde
PubChem CID123732373
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=C(OCC2CCCCC2c2ccnn2C2CC2)C=CCC1F
InChIInChI=1S/C20H25FN2O2/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/h3,7,10-12,14-16,18H,1-2,4-6,8-9,13H2
InChIKeyHMPAVUMGQNXUQH-UHFFFAOYSA-N
XLogP4.26
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.26
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

3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
3-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867786
3-methyl-5-[[2-[2-(oxetan-3-yl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine
CID 90426502
5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 118867797
2-[[2-(2-ethylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorobenzaldehyde
CID 86273387
2-[[3-(2-cyclopropylpyrazol-3-yl)oxan-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 139562123
3-chloro-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 90434163
3-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-5-hydroxypyridine-4-carbaldehyde
CID 90434268
5-[[2-[2-(2,2-difluoroethyl)pyrazol-3-yl]cyclohexyl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 118867819
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867836
5-[[2-(2-cyclopropylpyrazol-3-yl)cyclohex-3-en-1-yl]methoxy]-2-oxo-1H-pyridine-4-carbaldehyde
CID 144710030
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde (CID 123732373) is 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde is O=CC1=C(OCC2CCCCC2c2ccnn2C2CC2)C=CCC1F.
What is the InChIKey of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is HMPAVUMGQNXUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/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/h3,7,10-12,14-16,18H,1-2,4-6,8-9,13H2.
What are the key properties of 2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde?
2-[[2-(2-cyclopropylpyrazol-3-yl)cyclohexyl]methoxy]-6-fluorocyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 344.43 g/mol, XLogP of 4.26, 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-fluorocyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 123732373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).