[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate

C23H19N3O3 — CID 166429598

IUPAC[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cnccc2-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-10-8-17(9-11-20)23(27)29-22-15-24-13-12-21(22)18-14-25-26(16-18)19-6-4-3-5-7-19/h3-16H,2H2,1H3
InChIKeyVTROAQBXWNPBTF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.55
Rot. Bonds6

About [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate

[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate (PubChem CID 166429598) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate
PubChem CID166429598
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2cnccc2-c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-2-28-20-10-8-17(9-11-20)23(27)29-22-15-24-13-12-21(22)18-14-25-26(16-18)19-6-4-3-5-7-19/h3-16H,2H2,1H3
InChIKeyVTROAQBXWNPBTF-UHFFFAOYSA-N
XLogP4.55
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
5-[[3-[(4-Pyrazol-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124162056
3-Pyridinyl 4-methoxybenzoate
CID 1120962
(E)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 137640885
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 137660598
4-[(Phenylcarbamoyl)amino]pyridin-3-yl 4-ethoxybenzoate
CID 166429594
4-(1-Phenylpiperidin-4-yl)pyridin-3-yl 4-ethoxybenzoate
CID 166429596
Pyridin-3-yl 4-ethoxybenzoate
CID 168284632
6-Methylpyridin-3-yl 4-butoxybenzoate
CID 3245584
Pyridin-3-yl 4-butoxybenzoate
CID 4621376
4-[5-(4-Butoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 652370

Frequently Asked Questions

What is the IUPAC name of [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The IUPAC name of [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate (CID 166429598) is [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The canonical SMILES for [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2cnccc2-c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
The InChIKey is VTROAQBXWNPBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-2-28-20-10-8-17(9-11-20)23(27)29-22-15-24-13-12-21(22)18-14-25-26(16-18)19-6-4-3-5-7-19/h3-16H,2H2,1H3.
What are the key properties of [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate?
[4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate has a molecular weight of 385.42 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-phenylpyrazol-4-yl)-3-pyridinyl] 4-ethoxybenzoate is sourced from PubChem (CID 166429598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).