ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate

C19H19N3O3 — CID 31192903

IUPACethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1cccc(-c2ccn(CCO)n2)c1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)16-7-4-9-20-18(16)15-6-3-5-14(13-15)17-8-10-22(21-17)11-12-23/h3-10,13,23H,2,11-12H2,1H3
InChIKeyYIXCLPKTMPRGBY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.78
Rot. Bonds6

About ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate

ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate (PubChem CID 31192903) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate
PubChem CID31192903
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1-c1cccc(-c2ccn(CCO)n2)c1
InChIInChI=1S/C19H19N3O3/c1-2-25-19(24)16-7-4-9-20-18(16)15-6-3-5-14(13-15)17-8-10-22(21-17)11-12-23/h3-10,13,23H,2,11-12H2,1H3
InChIKeyYIXCLPKTMPRGBY-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate (CID 31192903) is ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1-c1cccc(-c2ccn(CCO)n2)c1.
What is the InChIKey of ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate?
The InChIKey is YIXCLPKTMPRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-25-19(24)16-7-4-9-20-18(16)15-6-3-5-14(13-15)17-8-10-22(21-17)11-12-23/h3-10,13,23H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate?
ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 31192903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).