N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide

C19H16N4O2 — CID 46107949

IUPACN-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H16N4O2/c1-14-11-18(21-19(24)13-25-17-5-3-2-4-6-17)22-23(14)16-9-7-15(12-20)8-10-16/h2-11H,13H2,1H3,(H,21,22,24)
InChIKeyUBXZMEXZKYMPGL-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide

N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 46107949) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
PubChem CID46107949
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide
SMILESCc1cc(NC(=O)COc2ccccc2)nn1-c1ccc(C#N)cc1
InChIInChI=1S/C19H16N4O2/c1-14-11-18(21-19(24)13-25-17-5-3-2-4-6-17)22-23(14)16-9-7-15(12-20)8-10-16/h2-11H,13H2,1H3,(H,21,22,24)
InChIKeyUBXZMEXZKYMPGL-UHFFFAOYSA-N
XLogP3.07
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide (CID 46107949) is N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide is Cc1cc(NC(=O)COc2ccccc2)nn1-c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is UBXZMEXZKYMPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-14-11-18(21-19(24)13-25-17-5-3-2-4-6-17)22-23(14)16-9-7-15(12-20)8-10-16/h2-11H,13H2,1H3,(H,21,22,24).
What are the key properties of N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide?
N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 332.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 46107949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).