3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde

C13H15N3O2 — CID 79158515

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(C)nn2C)c(C=O)n1
InChIInChI=1S/C13H15N3O2/c1-9-4-5-13(12(7-17)14-9)18-8-11-6-10(2)15-16(11)3/h4-7H,8H2,1-3H3
InChIKeyOETRWFQJADZMNW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.82
Rot. Bonds4

About 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 79158515) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID79158515
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCc1ccc(OCc2cc(C)nn2C)c(C=O)n1
InChIInChI=1S/C13H15N3O2/c1-9-4-5-13(12(7-17)14-9)18-8-11-6-10(2)15-16(11)3/h4-7H,8H2,1-3H3
InChIKeyOETRWFQJADZMNW-UHFFFAOYSA-N
XLogP1.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.82
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

[3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79163176
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-methoxyaniline
CID 58858055
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
3-[(2-chloro-4-fluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929205
6-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbaldehyde
CID 78929099
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanol
CID 107690650
[4-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 107665501

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 79158515) is 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde is Cc1ccc(OCc2cc(C)nn2C)c(C=O)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is OETRWFQJADZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-5-13(12(7-17)14-9)18-8-11-6-10(2)15-16(11)3/h4-7H,8H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 79158515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).