3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

C17H23N3O2 — CID 75443714

IUPAC3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(C)c(C)c1CCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C17H23N3O2/c1-11-14(7-5-9-16(11)21)17(22)18-10-6-8-15-12(2)19-20(4)13(15)3/h5,7,9,21H,6,8,10H2,1-4H3,(H,18,22)
InChIKeyVSYJLYUBHKHETL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds5

About 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (PubChem CID 75443714) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
PubChem CID75443714
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(C)c(C)c1CCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C17H23N3O2/c1-11-14(7-5-9-16(11)21)17(22)18-10-6-8-15-12(2)19-20(4)13(15)3/h5,7,9,21H,6,8,10H2,1-4H3,(H,18,22)
InChIKeyVSYJLYUBHKHETL-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (CID 75443714) is 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is Cc1nn(C)c(C)c1CCCNC(=O)c1cccc(O)c1C.
What is the InChIKey of 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The InChIKey is VSYJLYUBHKHETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-14(7-5-9-16(11)21)17(22)18-10-6-8-15-12(2)19-20(4)13(15)3/h5,7,9,21H,6,8,10H2,1-4H3,(H,18,22).
What are the key properties of 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 75443714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).