2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

C15H11F2N5O — CID 122300328

IUPAC2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H11F2N5O/c16-11-3-2-10(13(17)7-11)6-14(23)21-12-8-18-15(19-9-12)22-5-1-4-20-22/h1-5,7-9H,6H2,(H,21,23)
InChIKeyHBFWXIJLKJEVFW-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122300328) has the molecular formula C15H11F2N5O and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID122300328
Molecular FormulaC15H11F2N5O
Molecular Weight315.28 g/mol
Exact Mass315.09
IUPAC Name2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H11F2N5O/c16-11-3-2-10(13(17)7-11)6-14(23)21-12-8-18-15(19-9-12)22-5-1-4-20-22/h1-5,7-9H,6H2,(H,21,23)
InChIKeyHBFWXIJLKJEVFW-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
2-(1,3-benzodioxol-5-yl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300316
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
N-(5-chloropyrazin-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 107595721
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (CID 122300328) is 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is O=C(Cc1ccc(F)cc1F)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is HBFWXIJLKJEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O/c16-11-3-2-10(13(17)7-11)6-14(23)21-12-8-18-15(19-9-12)22-5-1-4-20-22/h1-5,7-9H,6H2,(H,21,23).
What are the key properties of 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 315.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122300328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).