2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C19H19N3O2 — CID 56881882

IUPAC2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C19H19N3O2/c1-21(19(24)13-16-4-2-5-18(23)12-16)14-15-6-8-17(9-7-15)22-11-3-10-20-22/h2-12,23H,13-14H2,1H3
InChIKeyMOCGNDFBXODTON-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.78
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 56881882) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID56881882
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C19H19N3O2/c1-21(19(24)13-16-4-2-5-18(23)12-16)14-15-6-8-17(9-7-15)22-11-3-10-20-22/h2-12,23H,13-14H2,1H3
InChIKeyMOCGNDFBXODTON-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 56881882) is 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)Cc1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is MOCGNDFBXODTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(19(24)13-16-4-2-5-18(23)12-16)14-15-6-8-17(9-7-15)22-11-3-10-20-22/h2-12,23H,13-14H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 56881882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).