N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide

C19H19N3O2 — CID 1224540

IUPACN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1
InChIInChI=1S/C19H19N3O2/c1-15-7-5-6-8-16(15)12-22-13-17(11-20-22)21-19(23)14-24-18-9-3-2-4-10-18/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyORIALTLIRBEUOL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.26
Rot. Bonds6

About N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide

N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide (PubChem CID 1224540) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide
PubChem CID1224540
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1
InChIInChI=1S/C19H19N3O2/c1-15-7-5-6-8-16(15)12-22-13-17(11-20-22)21-19(23)14-24-18-9-3-2-4-10-18/h2-11,13H,12,14H2,1H3,(H,21,23)
InChIKeyORIALTLIRBEUOL-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide (CID 1224540) is N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide is Cc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide?
The InChIKey is ORIALTLIRBEUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15-7-5-6-8-16(15)12-22-13-17(11-20-22)21-19(23)14-24-18-9-3-2-4-10-18/h2-11,13H,12,14H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide?
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide has a molecular weight of 321.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 1224540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).