N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide

C25H23FN4O2 — CID 92601561

IUPACN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-32-24-7-3-2-5-19(24)15-25(31)28-13-14-30-23(20-6-4-12-27-17-20)16-22(29-30)18-8-10-21(26)11-9-18/h2-12,16-17H,13-15H2,1H3,(H,28,31)
InChIKeyRVXSIEFDSGUIKK-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.12
Rot. Bonds8

About N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide

N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 92601561) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID92601561
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1
InChIInChI=1S/C25H23FN4O2/c1-32-24-7-3-2-5-19(24)15-25(31)28-13-14-30-23(20-6-4-12-27-17-20)16-22(29-30)18-8-10-21(26)11-9-18/h2-12,16-17H,13-15H2,1H3,(H,28,31)
InChIKeyRVXSIEFDSGUIKK-UHFFFAOYSA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
(2R)-N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-phenylpropanamide
CID 92582699
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
CID 110217969
2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572526
(3R)-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-1,1-dioxothiolane-3-carboxamide
CID 92570815
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
N-[2-[3-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]cyclohexanecarboxamide
CID 92596753
N-[2-[4-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)pyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92567615
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide (CID 92601561) is N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is RVXSIEFDSGUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-32-24-7-3-2-5-19(24)15-25(31)28-13-14-30-23(20-6-4-12-27-17-20)16-22(29-30)18-8-10-21(26)11-9-18/h2-12,16-17H,13-15H2,1H3,(H,28,31).
What are the key properties of N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide?
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 430.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 92601561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).