ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate

C17H15N3O2 — CID 46210366

IUPACethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-11-19-20(12-15)16-10-14(8-9-18-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyRVFXLZNOTYCDCE-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.11
Rot. Bonds4

About ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate

ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate (PubChem CID 46210366) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
PubChem CID46210366
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Nameethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(-c3ccccc3)ccn2)c1
InChIInChI=1S/C17H15N3O2/c1-2-22-17(21)15-11-19-20(12-15)16-10-14(8-9-18-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyRVFXLZNOTYCDCE-UHFFFAOYSA-N
XLogP3.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 81497796
ethyl 1-[4-[1-(methylamino)ethyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 81498015
ethyl 1-(2-acetylphenyl)pyrazole-4-carboxylate
CID 81499002
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 1-(2,6-difluorophenyl)pyrazole-4-carboxylate
CID 135154885
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
ethyl 1-(5-cyanopyrazin-2-yl)pyrazole-4-carboxylate
CID 81498617
ethyl 1-(4-amino-6-chloro-2-pyridinyl)pyrazole-4-carboxylate
CID 114070657
ethyl 3-(4-phenylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 67788100

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate (CID 46210366) is ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(-c3ccccc3)ccn2)c1.
What is the InChIKey of ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is RVFXLZNOTYCDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-2-22-17(21)15-11-19-20(12-15)16-10-14(8-9-18-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate?
ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-phenyl-2-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 46210366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).