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

C17H17N5O2 — CID 44589889

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H17N5O2/c1-10-7-11(2)22(21-10)17-19-15(9-16(20-17)18-12(3)23)13-5-4-6-14(24)8-13/h4-9,24H,1-3H3,(H,18,19,20,23)
InChIKeyRBRREHKGVIAYOX-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.61
Rot. Bonds3

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide (PubChem CID 44589889) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide
PubChem CID44589889
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(O)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H17N5O2/c1-10-7-11(2)22(21-10)17-19-15(9-16(20-17)18-12(3)23)13-5-4-6-14(24)8-13/h4-9,24H,1-3H3,(H,18,19,20,23)
InChIKeyRBRREHKGVIAYOX-UHFFFAOYSA-N
XLogP2.61
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide (CID 44589889) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(O)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide?
The InChIKey is RBRREHKGVIAYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-7-11(2)22(21-10)17-19-15(9-16(20-17)18-12(3)23)13-5-4-6-14(24)8-13/h4-9,24H,1-3H3,(H,18,19,20,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-hydroxyphenyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44589889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).