4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide

C19H19N3O2 — CID 35590532

IUPAC4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-18-10-4-15(5-11-18)19(23)20-16-6-8-17(9-7-16)22-13-12-14(2)21-22/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyYQEQSMRJDXWPCT-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.83
Rot. Bonds5

About 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide

4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide (PubChem CID 35590532) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
PubChem CID35590532
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-24-18-10-4-15(5-11-18)19(23)20-16-6-8-17(9-7-16)22-13-12-14(2)21-22/h4-13H,3H2,1-2H3,(H,20,23)
InChIKeyYQEQSMRJDXWPCT-UHFFFAOYSA-N
XLogP3.83
TPSA56.15 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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 39855049
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 43055653
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2569760
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
N-[4-(3-methylpyrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 16764916

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide (CID 35590532) is 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is YQEQSMRJDXWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-24-18-10-4-15(5-11-18)19(23)20-16-6-8-17(9-7-16)22-13-12-14(2)21-22/h4-13H,3H2,1-2H3,(H,20,23).
What are the key properties of 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide?
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 35590532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).