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

C24H20ClFN4O2 — CID 18674061

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C24H20ClFN4O2/c25-20-4-2-1-3-18(20)15-21(32)28-24-22(16-9-11-27-12-10-16)23(29-30(24)13-14-31)17-5-7-19(26)8-6-17/h1-12,31H,13-15H2,(H,28,32)
InChIKeyHOWKBXJVELWATM-UHFFFAOYSA-N
MW450.90 g/mol
LogP4.58
Rot. Bonds7

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

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (PubChem CID 18674061) has the molecular formula C24H20ClFN4O2 and a molecular weight of 450.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
PubChem CID18674061
Molecular FormulaC24H20ClFN4O2
Molecular Weight450.90 g/mol
Exact Mass450.13
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO
InChIInChI=1S/C24H20ClFN4O2/c25-20-4-2-1-3-18(20)15-21(32)28-24-22(16-9-11-27-12-10-16)23(29-30(24)13-14-31)17-5-7-19(26)8-6-17/h1-12,31H,13-15H2,(H,28,32)
InChIKeyHOWKBXJVELWATM-UHFFFAOYSA-N
XLogP4.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.90
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide (CID 18674061) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1CCO.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
The InChIKey is HOWKBXJVELWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O2/c25-20-4-2-1-3-18(20)15-21(32)28-24-22(16-9-11-27-12-10-16)23(29-30(24)13-14-31)17-5-7-19(26)8-6-17/h1-12,31H,13-15H2,(H,28,32).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide has a molecular weight of 450.90 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide is sourced from PubChem (CID 18674061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).