4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine

C12H13N3O — CID 89173905

IUPAC4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine
SMILESC=C(OCC)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C12H13N3O/c1-3-16-9(2)11-8-12(15-14-11)10-4-6-13-7-5-10/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyNGFBKVSNMDXYIO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.48
Rot. Bonds4

About 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine

4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 89173905) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine
PubChem CID89173905
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine
SMILESC=C(OCC)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C12H13N3O/c1-3-16-9(2)11-8-12(15-14-11)10-4-6-13-7-5-10/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyNGFBKVSNMDXYIO-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938
ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
CID 139144971
ethyl 3-thiophen-3-yl-1H-pyrazole-5-carboxylate
CID 165461517
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
ethyl 3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxylate
CID 75357945
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine (CID 89173905) is 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine is C=C(OCC)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is NGFBKVSNMDXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-16-9(2)11-8-12(15-14-11)10-4-6-13-7-5-10/h4-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine?
4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 215.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 89173905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).