2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde

C11H11N3O2 — CID 146640622

IUPAC2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
SMILESCOc1ncc(-c2cnn(C)c2)cc1C=O
InChIInChI=1S/C11H11N3O2/c1-14-6-10(5-13-14)8-3-9(7-15)11(16-2)12-4-8/h3-7H,1-2H3
InChIKeyCQZGXTKBNHAHQS-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.30
Rot. Bonds3

About 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde

2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde (PubChem CID 146640622) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
PubChem CID146640622
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
SMILESCOc1ncc(-c2cnn(C)c2)cc1C=O
InChIInChI=1S/C11H11N3O2/c1-14-6-10(5-13-14)8-3-9(7-15)11(16-2)12-4-8/h3-7H,1-2H3
InChIKeyCQZGXTKBNHAHQS-UHFFFAOYSA-N
XLogP1.30
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methoxy-5-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 176991048
5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
CID 87890582
2-hydroxy-5-(1-methylpyrazol-4-yl)-3-nitrobenzaldehyde
CID 59599812
4-methoxy-3-(1-methylpyrazol-4-yl)benzaldehyde
CID 82039718
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
CID 71554991
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 146653020
3-chloro-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 168665646
5-fluoro-6-methoxy-4-methylpyridine-3-carbaldehyde
CID 163233411
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde (CID 146640622) is 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde is COc1ncc(-c2cnn(C)c2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde?
The InChIKey is CQZGXTKBNHAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-6-10(5-13-14)8-3-9(7-15)11(16-2)12-4-8/h3-7H,1-2H3.
What are the key properties of 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde?
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde has a molecular weight of 217.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 146640622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).