3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde

C19H24ClF2N3O2 — CID 144709966

IUPAC3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCN1CC=C(C2CCCCC2COc2cncc(Cl)c2C=O)N1CC(F)F
InChIInChI=1S/C19H24ClF2N3O2/c1-24-7-6-17(25(24)10-19(21)22)14-5-3-2-4-13(14)12-27-18-9-23-8-16(20)15(18)11-26/h6,8-9,11,13-14,19H,2-5,7,10,12H2,1H3
InChIKeyKQJTUYHZPKMDJP-UHFFFAOYSA-N
MW399.87 g/mol
LogP4.04
Rot. Bonds7

About 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde

3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 144709966) has the molecular formula C19H24ClF2N3O2 and a molecular weight of 399.87 g/mol. Its IUPAC name is 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID144709966
Molecular FormulaC19H24ClF2N3O2
Molecular Weight399.87 g/mol
Exact Mass399.15
IUPAC Name3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCN1CC=C(C2CCCCC2COc2cncc(Cl)c2C=O)N1CC(F)F
InChIInChI=1S/C19H24ClF2N3O2/c1-24-7-6-17(25(24)10-19(21)22)14-5-3-2-4-13(14)12-27-18-9-23-8-16(20)15(18)11-26/h6,8-9,11,13-14,19H,2-5,7,10,12H2,1H3
InChIKeyKQJTUYHZPKMDJP-UHFFFAOYSA-N
XLogP4.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.87
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 144709966) is 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde is CN1CC=C(C2CCCCC2COc2cncc(Cl)c2C=O)N1CC(F)F.
What is the InChIKey of 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is KQJTUYHZPKMDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF2N3O2/c1-24-7-6-17(25(24)10-19(21)22)14-5-3-2-4-13(14)12-27-18-9-23-8-16(20)15(18)11-26/h6,8-9,11,13-14,19H,2-5,7,10,12H2,1H3.
What are the key properties of 3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 399.87 g/mol, XLogP of 4.04, 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-[1-(2,2-difluoroethyl)-2-methyl-3H-pyrazol-5-yl]cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 144709966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).