ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C14H13F5N2O4 — CID 59389380

IUPACethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)C(F)(F)F)nn2c(OC)ccc(CO)c12
InChIInChI=1S/C14H13F5N2O4/c1-3-25-12(23)9-10-7(6-22)4-5-8(24-2)21(10)20-11(9)13(15,16)14(17,18)19/h4-5,22H,3,6H2,1-2H3
InChIKeyVCBCSCYPVDAFIW-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.67
Rot. Bonds5

About ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 59389380) has the molecular formula C14H13F5N2O4 and a molecular weight of 368.26 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID59389380
Molecular FormulaC14H13F5N2O4
Molecular Weight368.26 g/mol
Exact Mass368.08
IUPAC Nameethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)(F)C(F)(F)F)nn2c(OC)ccc(CO)c12
InChIInChI=1S/C14H13F5N2O4/c1-3-25-12(23)9-10-7(6-22)4-5-8(24-2)21(10)20-11(9)13(15,16)14(17,18)19/h4-5,22H,3,6H2,1-2H3
InChIKeyVCBCSCYPVDAFIW-UHFFFAOYSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 59389380) is ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(C(F)(F)C(F)(F)F)nn2c(OC)ccc(CO)c12.
What is the InChIKey of ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VCBCSCYPVDAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N2O4/c1-3-25-12(23)9-10-7(6-22)4-5-8(24-2)21(10)20-11(9)13(15,16)14(17,18)19/h4-5,22H,3,6H2,1-2H3.
What are the key properties of ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 368.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(hydroxymethyl)-7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 59389380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).