N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide

C19H19N3O2 — CID 3557019

IUPACN-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide
SMILESCN(C(=O)COc1cc(-c2ccccc2)nn1C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-21(16-11-7-4-8-12-16)18(23)14-24-19-13-17(20-22(19)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeySYPSCNWOSPBPLU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide

N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide (PubChem CID 3557019) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide
PubChem CID3557019
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide
SMILESCN(C(=O)COc1cc(-c2ccccc2)nn1C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-21(16-11-7-4-8-12-16)18(23)14-24-19-13-17(20-22(19)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3
InChIKeySYPSCNWOSPBPLU-UHFFFAOYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide?
The IUPAC name of N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide (CID 3557019) is N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide is CN(C(=O)COc1cc(-c2ccccc2)nn1C)c1ccccc1.
What is the InChIKey of N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide?
The InChIKey is SYPSCNWOSPBPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(16-11-7-4-8-12-16)18(23)14-24-19-13-17(20-22(19)2)15-9-5-3-6-10-15/h3-13H,14H2,1-2H3.
What are the key properties of N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide?
N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide has a molecular weight of 321.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methyl-3-phenylpyrazol-5-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 3557019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).