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

C22H16ClFN4O — CID 15513085

IUPAC2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16ClFN4O/c23-17-3-1-2-14(12-17)13-19(29)26-22-20(15-8-10-25-11-9-15)21(27-28-22)16-4-6-18(24)7-5-16/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyUZQFFRKKGBAOIR-UHFFFAOYSA-N
MW406.85 g/mol
LogP5.11
Rot. Bonds5

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

2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (PubChem CID 15513085) has the molecular formula C22H16ClFN4O and a molecular weight of 406.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
PubChem CID15513085
Molecular FormulaC22H16ClFN4O
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC Name2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16ClFN4O/c23-17-3-1-2-14(12-17)13-19(29)26-22-20(15-8-10-25-11-9-15)21(27-28-22)16-4-6-18(24)7-5-16/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyUZQFFRKKGBAOIR-UHFFFAOYSA-N
XLogP5.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.85
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (CID 15513085) is 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is O=C(Cc1cccc(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The InChIKey is UZQFFRKKGBAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O/c23-17-3-1-2-14(12-17)13-19(29)26-22-20(15-8-10-25-11-9-15)21(27-28-22)16-4-6-18(24)7-5-16/h1-12H,13H2,(H2,26,27,28,29).
What are the key properties of 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide has a molecular weight of 406.85 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 15513085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).