ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate

C12H12N2O2 — CID 165477367

IUPACethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
SMILESCCOC(=O)/C=C/c1cnn2ccccc12
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h3-9H,2H2,1H3/b7-6+
InChIKeyQPBZFHWUPPMLNH-VOTSOKGWSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds3

About ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate

ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate (PubChem CID 165477367) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
PubChem CID165477367
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
SMILESCCOC(=O)/C=C/c1cnn2ccccc12
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h3-9H,2H2,1H3/b7-6+
InChIKeyQPBZFHWUPPMLNH-VOTSOKGWSA-N
XLogP1.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl (E)-3-indazol-1-ylprop-2-enoate
CID 56957510
ethyl 3-(1-methyl-5-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
CID 91001868
ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 91168931
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
5-methyl-2-[(E)-2-pyrazolo[1,5-a]pyridin-3-ylethenyl]-1,3-thiazole-4-carboxylic acid
CID 167984251
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl (Z)-3-[2-(3-oxobutyl)phenyl]prop-2-enoate
CID 101402562
(2Z)-3-oxo-2-(pyrazolo[1,5-a]pyridin-3-ylmethylidene)butanoic acid
CID 67870954

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate (CID 165477367) is ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate is CCOC(=O)/C=C/c1cnn2ccccc12.
What is the InChIKey of ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate?
The InChIKey is QPBZFHWUPPMLNH-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h3-9H,2H2,1H3/b7-6+.
What are the key properties of ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate?
ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate has a molecular weight of 216.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate is sourced from PubChem (CID 165477367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).