2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

C19H18F2N4O — CID 86266223

IUPAC2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(-c2ccncc2)nn1CCNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O/c1-13-10-18(14-4-6-22-7-5-14)24-25(13)9-8-23-19(26)11-15-2-3-16(20)12-17(15)21/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)
InChIKeyQVNZTVCAYXBQHR-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.89
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 86266223) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID86266223
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(-c2ccncc2)nn1CCNC(=O)Cc1ccc(F)cc1F
InChIInChI=1S/C19H18F2N4O/c1-13-10-18(14-4-6-22-7-5-14)24-25(13)9-8-23-19(26)11-15-2-3-16(20)12-17(15)21/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)
InChIKeyQVNZTVCAYXBQHR-UHFFFAOYSA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (CID 86266223) is 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is Cc1cc(-c2ccncc2)nn1CCNC(=O)Cc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is QVNZTVCAYXBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-13-10-18(14-4-6-22-7-5-14)24-25(13)9-8-23-19(26)11-15-2-3-16(20)12-17(15)21/h2-7,10,12H,8-9,11H2,1H3,(H,23,26).
What are the key properties of 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86266223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).