N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

C18H19N3O2 — CID 22167067

IUPACN-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(22)21(16-8-10-17(23-2)11-9-16)18-12-13-20(19-18)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyAPLUGZAWNLAQKA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.27
Rot. Bonds3

About N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide

N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (PubChem CID 22167067) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
PubChem CID22167067
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide
SMILESCOc1ccc(N(C(C)=O)C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H19N3O2/c1-14(22)21(16-8-10-17(23-2)11-9-16)18-12-13-20(19-18)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyAPLUGZAWNLAQKA-UHFFFAOYSA-N
XLogP3.27
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide (CID 22167067) is N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is COc1ccc(N(C(C)=O)C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
The InChIKey is APLUGZAWNLAQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14(22)21(16-8-10-17(23-2)11-9-16)18-12-13-20(19-18)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide?
N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)acetamide is sourced from PubChem (CID 22167067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).