ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate

C23H18FN3O2 — CID 11176689

IUPACethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C23H18FN3O2/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyFNGZZAVSSPOQCN-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.92
Rot. Bonds5

About ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate

ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate (PubChem CID 11176689) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate
PubChem CID11176689
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Nameethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C23H18FN3O2/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyFNGZZAVSSPOQCN-UHFFFAOYSA-N
XLogP4.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate (CID 11176689) is ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.
What is the InChIKey of ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate?
The InChIKey is FNGZZAVSSPOQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-2-29-23(28)19-15-26-27(22(19)18-10-6-7-11-20(18)24)17-12-13-21(25-14-17)16-8-4-3-5-9-16/h3-15H,2H2,1H3.
What are the key properties of ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate?
ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluorophenyl)-1-(6-phenyl-3-pyridinyl)pyrazole-4-carboxylate is sourced from PubChem (CID 11176689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).