2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide

C16H15N5O2 — CID 71166874

IUPAC2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide
SMILESCc1cc(O)cc(-c2nn(CC(N)=O)cc2-c2ccncn2)c1
InChIInChI=1S/C16H15N5O2/c1-10-4-11(6-12(22)5-10)16-13(14-2-3-18-9-19-14)7-21(20-16)8-15(17)23/h2-7,9,22H,8H2,1H3,(H2,17,23)
InChIKeyIVRDEBMEQOQFEI-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.51
Rot. Bonds4

About 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide

2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide (PubChem CID 71166874) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide
PubChem CID71166874
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide
SMILESCc1cc(O)cc(-c2nn(CC(N)=O)cc2-c2ccncn2)c1
InChIInChI=1S/C16H15N5O2/c1-10-4-11(6-12(22)5-10)16-13(14-2-3-18-9-19-14)7-21(20-16)8-15(17)23/h2-7,9,22H,8H2,1H3,(H2,17,23)
InChIKeyIVRDEBMEQOQFEI-UHFFFAOYSA-N
XLogP1.51
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide (CID 71166874) is 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide is Cc1cc(O)cc(-c2nn(CC(N)=O)cc2-c2ccncn2)c1.
What is the InChIKey of 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide?
The InChIKey is IVRDEBMEQOQFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-4-11(6-12(22)5-10)16-13(14-2-3-18-9-19-14)7-21(20-16)8-15(17)23/h2-7,9,22H,8H2,1H3,(H2,17,23).
What are the key properties of 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide?
2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 71166874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).