3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide

C21H21N5O3 — CID 60552582

IUPAC3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C21H21N5O3/c1-14(27)23-18-8-17(9-19(10-18)24-15(2)28)21(29)25-20-11-22-26(13-20)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyOSJUVQPFOLXXDF-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.10
Rot. Bonds6

About 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide

3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide (PubChem CID 60552582) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
PubChem CID60552582
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C21H21N5O3/c1-14(27)23-18-8-17(9-19(10-18)24-15(2)28)21(29)25-20-11-22-26(13-20)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyOSJUVQPFOLXXDF-UHFFFAOYSA-N
XLogP3.10
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-4-chloro-3-nitrobenzamide
CID 19397600
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
3-(2-amino-2-oxoethoxy)-N-(1-benzylpyrazol-4-yl)benzamide
CID 134699731

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide (CID 60552582) is 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide?
The InChIKey is OSJUVQPFOLXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)23-18-8-17(9-19(10-18)24-15(2)28)21(29)25-20-11-22-26(13-20)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide?
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide is sourced from PubChem (CID 60552582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).