3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide

C23H26N4O2 — CID 26070875

IUPAC3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-5-26(6-2)23(29)19-8-7-9-20(15-19)24-22(28)18-10-12-21(13-11-18)27-17(4)14-16(3)25-27/h7-15H,5-6H2,1-4H3,(H,24,28)
InChIKeyJJYAPUOBAOESNB-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.22
Rot. Bonds6

About 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide

3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide (PubChem CID 26070875) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
PubChem CID26070875
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1
InChIInChI=1S/C23H26N4O2/c1-5-26(6-2)23(29)19-8-7-9-20(15-19)24-22(28)18-10-12-21(13-11-18)27-17(4)14-16(3)25-27/h7-15H,5-6H2,1-4H3,(H,24,28)
InChIKeyJJYAPUOBAOESNB-UHFFFAOYSA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
3-chloro-N-[3-(diethylcarbamoyl)phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784719
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
4-(3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39259977
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide (CID 26070875) is 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1.
What is the InChIKey of 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
The InChIKey is JJYAPUOBAOESNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-5-26(6-2)23(29)19-8-7-9-20(15-19)24-22(28)18-10-12-21(13-11-18)27-17(4)14-16(3)25-27/h7-15H,5-6H2,1-4H3,(H,24,28).
What are the key properties of 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide?
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 26070875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).