4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile

C12H10N4O2 — CID 137351285

IUPAC4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCCOc1cc(-n2cc(C=O)cn2)ncc1C#N
InChIInChI=1S/C12H10N4O2/c1-2-18-11-3-12(14-6-10(11)4-13)16-7-9(8-17)5-15-16/h3,5-8H,2H2,1H3
InChIKeyCTXRXBBSQFKVQJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.35
Rot. Bonds4

About 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile

4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile (PubChem CID 137351285) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
PubChem CID137351285
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile
SMILESCCOc1cc(-n2cc(C=O)cn2)ncc1C#N
InChIInChI=1S/C12H10N4O2/c1-2-18-11-3-12(14-6-10(11)4-13)16-7-9(8-17)5-15-16/h3,5-8H,2H2,1H3
InChIKeyCTXRXBBSQFKVQJ-UHFFFAOYSA-N
XLogP1.35
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.35
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

6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methoxypyridine-3-carbonitrile
CID 134524112
1-(5-methylpyrazin-2-yl)pyrazole-4-carbaldehyde
CID 137351204
4-ethoxy-6-(1-hydroxypropyl)pyridine-3-carbonitrile
CID 163464520
2-acetyl-3-ethoxy-5-formylbenzonitrile
CID 171031025
6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
4-ethoxypyridine-3-carbonitrile;formic acid
CID 175946490
2-ethoxy-4,6-diformylbenzonitrile
CID 171031040
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531443
4-amino-7-ethoxyquinoline-3,6-dicarbonitrile;prop-1-ene
CID 142362259
6-(4-formylindazol-1-yl)-4-methoxypyridine-3-carbonitrile
CID 134524092
4-amino-6-[4-(chloromethyl)pyrazol-1-yl]pyridine-3-carbonitrile
CID 152895451
ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
CID 81498617

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile (CID 137351285) is 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile is CCOc1cc(-n2cc(C=O)cn2)ncc1C#N.
What is the InChIKey of 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is CTXRXBBSQFKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-2-18-11-3-12(14-6-10(11)4-13)16-7-9(8-17)5-15-16/h3,5-8H,2H2,1H3.
What are the key properties of 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile?
4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 242.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-formylpyrazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 137351285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).