3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde

C19H21ClF3N3O2 — CID 90426790

IUPAC3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1OCC1CCCCC1c1ccnn1CCC(F)(F)F
InChIInChI=1S/C19H21ClF3N3O2/c20-16-9-24-10-18(15(16)11-27)28-12-13-3-1-2-4-14(13)17-5-7-25-26(17)8-6-19(21,22)23/h5,7,9-11,13-14H,1-4,6,8,12H2
InChIKeyXOGVBOWDICCIGD-UHFFFAOYSA-N
MW415.84 g/mol
LogP5.05
Rot. Bonds7

About 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde

3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 90426790) has the molecular formula C19H21ClF3N3O2 and a molecular weight of 415.84 g/mol. Its IUPAC name is 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID90426790
Molecular FormulaC19H21ClF3N3O2
Molecular Weight415.84 g/mol
Exact Mass415.13
IUPAC Name3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESO=Cc1c(Cl)cncc1OCC1CCCCC1c1ccnn1CCC(F)(F)F
InChIInChI=1S/C19H21ClF3N3O2/c20-16-9-24-10-18(15(16)11-27)28-12-13-3-1-2-4-14(13)17-5-7-25-26(17)8-6-19(21,22)23/h5,7,9-11,13-14H,1-4,6,8,12H2
InChIKeyXOGVBOWDICCIGD-UHFFFAOYSA-N
XLogP5.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.84
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Difluoromethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473234
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-chloro-5-methoxypyridine-4-carboxamide
CID 57096913
(4S)-1-[4-(2-methylpyrazol-3-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 58255310
2-(2-Chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 58486975
N-(2-chlorophenyl)-3-methoxy-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 68200659
3-Chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 71622452
3-Methyl-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 71622453
3-[[2-[2-(2,2,2-Trifluoroethyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-2-carbaldehyde
CID 85471433
3-[[2-[2-(3,3,3-Trifluoropropyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-2-carbaldehyde
CID 85471434
2-Methoxy-5-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473106
5-[[2-[2-(2,2-Difluoroethyl)pyrazol-3-yl]pyridin-3-yl]methoxy]-2-methoxypyridine-4-carbaldehyde
CID 85473109
2-Methoxy-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]pyridin-3-yl]methoxy]pyridine-4-carbaldehyde
CID 85473372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 90426790) is 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde is O=Cc1c(Cl)cncc1OCC1CCCCC1c1ccnn1CCC(F)(F)F.
What is the InChIKey of 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is XOGVBOWDICCIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O2/c20-16-9-24-10-18(15(16)11-27)28-12-13-3-1-2-4-14(13)17-5-7-25-26(17)8-6-19(21,22)23/h5,7,9-11,13-14H,1-4,6,8,12H2.
What are the key properties of 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 415.84 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 90426790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).