ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C13H16N2O3 — CID 58014043

IUPACethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cccc(CO)c12
InChIInChI=1S/C13H16N2O3/c1-3-10-11(13(17)18-4-2)12-9(8-16)6-5-7-15(12)14-10/h5-7,16H,3-4,8H2,1-2H3
InChIKeyGOLKRMKBLBHXPD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.57
Rot. Bonds4

About ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 58014043) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID58014043
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nameethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(CC)nn2cccc(CO)c12
InChIInChI=1S/C13H16N2O3/c1-3-10-11(13(17)18-4-2)12-9(8-16)6-5-7-15(12)14-10/h5-7,16H,3-4,8H2,1-2H3
InChIKeyGOLKRMKBLBHXPD-UHFFFAOYSA-N
XLogP1.57
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 163230745
ethyl 2-(6-methyl-2-pyridinyl)-4-methylsulfonylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 69365809
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82355967
ethyl 2-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;ethyl pent-2-ynoate;pyridin-1-ium-1-amine;iodide
CID 160608445
ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
CID 135370939
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 5-bromo-4-chloro-2-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 164860766
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 59389380
ethyl 2-(2-chloropropanoyl)-6-(hydroxymethyl)benzoate
CID 134643441

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 58014043) is ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(CC)nn2cccc(CO)c12.
What is the InChIKey of ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GOLKRMKBLBHXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-10-11(13(17)18-4-2)12-9(8-16)6-5-7-15(12)14-10/h5-7,16H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 58014043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).