3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde

C19H24ClN3O2 — CID 90426068

IUPAC3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cncc(Cl)c1C=O
InChIInChI=1S/C19H24ClN3O2/c1-2-9-23-18(7-8-22-23)15-6-4-3-5-14(15)13-25-19-11-21-10-17(20)16(19)12-24/h7-8,10-12,14-15H,2-6,9,13H2,1H3
InChIKeyGZTHJHZNTPBDGS-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.51
Rot. Bonds7

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

3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 90426068) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
PubChem CID90426068
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1C1CCCCC1COc1cncc(Cl)c1C=O
InChIInChI=1S/C19H24ClN3O2/c1-2-9-23-18(7-8-22-23)15-6-4-3-5-14(15)13-25-19-11-21-10-17(20)16(19)12-24/h7-8,10-12,14-15H,2-6,9,13H2,1H3
InChIKeyGZTHJHZNTPBDGS-UHFFFAOYSA-N
XLogP4.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.51
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-propylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde (CID 90426068) is 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is CCCn1nccc1C1CCCCC1COc1cncc(Cl)c1C=O.
What is the InChIKey of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is GZTHJHZNTPBDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-2-9-23-18(7-8-22-23)15-6-4-3-5-14(15)13-25-19-11-21-10-17(20)16(19)12-24/h7-8,10-12,14-15H,2-6,9,13H2,1H3.
What are the key properties of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 361.87 g/mol, XLogP of 4.51, 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-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 90426068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).