N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

C17H15F2N5O — CID 44589887

IUPACN-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)cc(F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H15F2N5O/c1-9-4-10(2)24(23-9)17-21-15(8-16(22-17)20-11(3)25)12-5-13(18)7-14(19)6-12/h4-8H,1-3H3,(H,20,21,22,25)
InChIKeyDTINJFMWAIYFRA-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.18
Rot. Bonds3

About N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 44589887) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID44589887
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(F)cc(F)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H15F2N5O/c1-9-4-10(2)24(23-9)17-21-15(8-16(22-17)20-11(3)25)12-5-13(18)7-14(19)6-12/h4-8H,1-3H3,(H,20,21,22,25)
InChIKeyDTINJFMWAIYFRA-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 44589887) is N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cc(F)cc(F)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is DTINJFMWAIYFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-9-4-10(2)24(23-9)17-21-15(8-16(22-17)20-11(3)25)12-5-13(18)7-14(19)6-12/h4-8H,1-3H3,(H,20,21,22,25).
What are the key properties of N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 343.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).