N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide

C20H21N3O3 — CID 26702605

IUPACN-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-10-11-19(26-4-2)18(14-17)22-20(24)15-6-8-16(9-7-15)23-13-5-12-21-23/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyKKALQFYGVKNQMT-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.92
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide

N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 26702605) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
PubChem CID26702605
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-3-25-17-10-11-19(26-4-2)18(14-17)22-20(24)15-6-8-16(9-7-15)23-13-5-12-21-23/h5-14H,3-4H2,1-2H3,(H,22,24)
InChIKeyKKALQFYGVKNQMT-UHFFFAOYSA-N
XLogP3.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide 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-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-(2,5-diethoxyphenyl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26662314
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-pyrazol-1-ylbenzamide
CID 33252679
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
N-[4-(2-hydroxyethoxy)phenyl]-4-pyrazol-1-ylbenzamide
CID 111116155
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-(2,5-diethoxyphenyl)-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617344

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide (CID 26702605) is N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide is CCOc1ccc(OCC)c(NC(=O)c2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is KKALQFYGVKNQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-17-10-11-19(26-4-2)18(14-17)22-20(24)15-6-8-16(9-7-15)23-13-5-12-21-23/h5-14H,3-4H2,1-2H3,(H,22,24).
What are the key properties of N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide?
N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 26702605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).