ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate

C23H20N4O3 — CID 23143493

IUPACethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C23H20N4O3/c1-2-29-23(28)20-14-21(27(26-20)22-10-6-7-13-24-22)19-12-11-18(15-25-19)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyYIVWLYMLYOBAOQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.09
Rot. Bonds7

About ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate

ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate (PubChem CID 23143493) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
PubChem CID23143493
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Nameethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1
InChIInChI=1S/C23H20N4O3/c1-2-29-23(28)20-14-21(27(26-20)22-10-6-7-13-24-22)19-12-11-18(15-25-19)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3
InChIKeyYIVWLYMLYOBAOQ-UHFFFAOYSA-N
XLogP4.09
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 141118128
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
CID 23143582
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
ethyl 5-[4-[4-(2-phenoxyacetyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46084973
N,N,1-trimethyl-5-(5-phenylmethoxy-2-pyridinyl)pyrazole-3-carboxamide
CID 59003625
ethyl 5-[3-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 92820852
ethyl 5-[3-[(3-methoxybenzoyl)amino]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46094004
ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
ethyl 5-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46093342
ethyl 5-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-1-pyridin-2-ylpyrazole-3-carboxylate
CID 46093303
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate (CID 23143493) is ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cn2)n(-c2ccccn2)n1.
What is the InChIKey of ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate?
The InChIKey is YIVWLYMLYOBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-2-29-23(28)20-14-21(27(26-20)22-10-6-7-13-24-22)19-12-11-18(15-25-19)30-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate?
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 23143493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).