N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide

C22H25N3O3 — CID 19288449

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)NCc3cn(C)nc3C)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-4-27-20-8-10-21(11-9-20)28-15-17-6-5-7-18(12-17)22(26)23-13-19-14-25(3)24-16(19)2/h5-12,14H,4,13,15H2,1-3H3,(H,23,26)
InChIKeyRFQMRKFVOKMUGJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.64
Rot. Bonds8

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide (PubChem CID 19288449) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
PubChem CID19288449
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1ccc(OCc2cccc(C(=O)NCc3cn(C)nc3C)c2)cc1
InChIInChI=1S/C22H25N3O3/c1-4-27-20-8-10-21(11-9-20)28-15-17-6-5-7-18(12-17)22(26)23-13-19-14-25(3)24-16(19)2/h5-12,14H,4,13,15H2,1-3H3,(H,23,26)
InChIKeyRFQMRKFVOKMUGJ-UHFFFAOYSA-N
XLogP3.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]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

3-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 19288491
3-[(4-ethoxyphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331075
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 19292732
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
3-[(4-ethoxyphenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]benzamide
CID 19574757
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
N-(1-benzyl-5-methylpyrazol-3-yl)-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19337507
[3-[(4-tert-butylphenoxy)methyl]phenyl]-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19333825
N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethoxyphenoxy)methyl]benzamide
CID 19402000

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide (CID 19288449) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide is CCOc1ccc(OCc2cccc(C(=O)NCc3cn(C)nc3C)c2)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide?
The InChIKey is RFQMRKFVOKMUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-27-20-8-10-21(11-9-20)28-15-17-6-5-7-18(12-17)22(26)23-13-19-14-25(3)24-16(19)2/h5-12,14H,4,13,15H2,1-3H3,(H,23,26).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(4-ethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19288449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).