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

C18H17ClN4O2 — CID 118026330

IUPAC3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O
InChIInChI=1S/C18H17ClN4O2/c1-2-8-23-16(5-7-22-23)18-13(4-3-6-21-18)12-25-17-10-20-9-15(19)14(17)11-24/h3-7,9-11H,2,8,12H2,1H3
InChIKeyNLAXYOONTAABBN-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.80
Rot. Bonds7

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

3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 118026330) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID118026330
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCCCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O
InChIInChI=1S/C18H17ClN4O2/c1-2-8-23-16(5-7-22-23)18-13(4-3-6-21-18)12-25-17-10-20-9-15(19)14(17)11-24/h3-7,9-11H,2,8,12H2,1H3
InChIKeyNLAXYOONTAABBN-UHFFFAOYSA-N
XLogP3.80
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 118026330) is 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is CCCn1nccc1-c1ncccc1COc1cncc(Cl)c1C=O.
What is the InChIKey of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is NLAXYOONTAABBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-8-23-16(5-7-22-23)18-13(4-3-6-21-18)12-25-17-10-20-9-15(19)14(17)11-24/h3-7,9-11H,2,8,12H2,1H3.
What are the key properties of 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 356.81 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 118026330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).