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

C22H16ClFN4O — CID 15513084

IUPAC2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16ClFN4O/c23-18-4-2-1-3-16(18)13-19(29)26-22-20(14-9-11-25-12-10-14)21(27-28-22)15-5-7-17(24)8-6-15/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyUMDAOVIDLKKQHL-UHFFFAOYSA-N
MW406.85 g/mol
LogP5.11
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (PubChem CID 15513084) has the molecular formula C22H16ClFN4O and a molecular weight of 406.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
PubChem CID15513084
Molecular FormulaC22H16ClFN4O
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC Name2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C22H16ClFN4O/c23-18-4-2-1-3-16(18)13-19(29)26-22-20(14-9-11-25-12-10-14)21(27-28-22)15-5-7-17(24)8-6-15/h1-12H,13H2,(H2,26,27,28,29)
InChIKeyUMDAOVIDLKKQHL-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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Related Compounds

(3S)-3-({5-Chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)-3-(4-fluorophenyl)-N-methylpropanamide
CID 11441796
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
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N-[6-chloro-5-(4-pyridyl)-1H-indazol-3-yl]butanamide
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4-chloro-5-[(2-chlorobenzoyl)amino]-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630511
5-[(2-chlorobenzoyl)amino]-4-methyl-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630512
5-[(2-chlorobenzoyl)amino]-4-fluoro-N-[2-[1-(4-pyridinyl)-4-piperidinyl]ethyl]-1Hpyrazole-3-carboxamide
CID 23630811
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 44621189
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
5-(2-chloro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497161
5-[(2-Chloro-4-fluoro-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
CID 118505224
2-(6-cyclopropyl-3-pyridinyl)-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide (CID 15513084) is 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
The InChIKey is UMDAOVIDLKKQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O/c23-18-4-2-1-3-16(18)13-19(29)26-22-20(14-9-11-25-12-10-14)21(27-28-22)15-5-7-17(24)8-6-15/h1-12H,13H2,(H2,26,27,28,29).
What are the key properties of 2-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide?
2-(2-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-(2-chlorophenyl)-N-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 15513084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).