3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

C19H20N4O2 — CID 85471436

IUPAC3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C19H20N4O2/c1-13(2)23-17(6-8-22-23)19-15(5-4-7-21-19)12-25-18-10-20-9-14(3)16(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyNQSWIAJEYIFANM-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.62
Rot. Bonds6

About 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde

3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (PubChem CID 85471436) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
PubChem CID85471436
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
SMILESCc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O
InChIInChI=1S/C19H20N4O2/c1-13(2)23-17(6-8-22-23)19-15(5-4-7-21-19)12-25-18-10-20-9-14(3)16(18)11-24/h4-11,13H,12H2,1-3H3
InChIKeyNQSWIAJEYIFANM-UHFFFAOYSA-N
XLogP3.62
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[2-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 169285053
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-benzimidazole-4-carbaldehyde
CID 91885561
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
3-chloro-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde;4-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methoxypyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-6-methylpyridine;2-ethenyl-3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;2-ethenyl-3-[[2-(2-propylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine;3-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 159943547
3-methoxy-5-[1-[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]ethoxy]pyridine-4-carbaldehyde
CID 170163268
2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde
CID 86305517
2-(2-methoxyethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 71622318
tert-butyl N-[2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]phenyl]carbamate
CID 129254362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The IUPAC name of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde (CID 85471436) is 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The canonical SMILES for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is Cc1cncc(OCc2cccnc2-c2ccnn2C(C)C)c1C=O.
What is the InChIKey of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
The InChIKey is NQSWIAJEYIFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)23-17(6-8-22-23)19-15(5-4-7-21-19)12-25-18-10-20-9-14(3)16(18)11-24/h4-11,13H,12H2,1-3H3.
What are the key properties of 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde?
3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde has a molecular weight of 336.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde is sourced from PubChem (CID 85471436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).