2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

C18H17F2N5O2 — CID 38934831

IUPAC2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H17F2N5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(19)8-14(15)20/h4-8H,9H2,1-3H3,(H,23,26)
InChIKeyKKQIQQWOGCJUCH-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.88
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide

2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 38934831) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID38934831
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2F)n1
InChIInChI=1S/C18H17F2N5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(19)8-14(15)20/h4-8H,9H2,1-3H3,(H,23,26)
InChIKeyKKQIQQWOGCJUCH-UHFFFAOYSA-N
XLogP2.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 38934831) is 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is KKQIQQWOGCJUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-10-6-11(2)22-18(21-10)25-16(7-12(3)24-25)23-17(26)9-27-15-5-4-13(19)8-14(15)20/h4-8H,9H2,1-3H3,(H,23,26).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 373.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 38934831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).