N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

C23H27N3O2 — CID 19290598

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1
InChIInChI=1S/C23H27N3O2/c1-4-26-15-19(14-25-26)13-24-23(27)21-7-5-6-18(12-21)16-28-22-10-8-20(9-11-22)17(2)3/h5-12,14-15,17H,4,13,16H2,1-3H3,(H,24,27)
InChIKeyGLMNLRKXVLLCIM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.54
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (PubChem CID 19290598) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
PubChem CID19290598
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1
InChIInChI=1S/C23H27N3O2/c1-4-26-15-19(14-25-26)13-24-23(27)21-7-5-6-18(12-21)16-28-22-10-8-20(9-11-22)17(2)3/h5-12,14-15,17H,4,13,16H2,1-3H3,(H,24,27)
InChIKeyGLMNLRKXVLLCIM-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)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

N-[(1-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19331046
N-[(2-ethylpyrazol-3-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19294521
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19290644
3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290692
N-[1-(methoxymethyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19410953
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
3-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 116800034
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide (CID 19290598) is N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is CCn1cc(CNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
The InChIKey is GLMNLRKXVLLCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-4-26-15-19(14-25-26)13-24-23(27)21-7-5-6-18(12-21)16-28-22-10-8-20(9-11-22)17(2)3/h5-12,14-15,17H,4,13,16H2,1-3H3,(H,24,27).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide is sourced from PubChem (CID 19290598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).