4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide

C22H25N3O2 — CID 19332359

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-6-3-7-18(2)21(17)27-16-19-8-10-20(11-9-19)22(26)23-12-4-14-25-15-5-13-24-25/h3,5-11,13,15H,4,12,14,16H2,1-2H3,(H,23,26)
InChIKeyMCENLKZBMFJITE-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.90
Rot. Bonds8

About 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide

4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 19332359) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID19332359
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCc1cccc(C)c1OCc1ccc(C(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-6-3-7-18(2)21(17)27-16-19-8-10-20(11-9-19)22(26)23-12-4-14-25-15-5-13-24-25/h3,5-11,13,15H,4,12,14,16H2,1-2H3,(H,23,26)
InChIKeyMCENLKZBMFJITE-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19325826
4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293754
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
3-(methoxymethyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393677
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
3-[(4-bromophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332260
N-[2-(2,6-dimethylphenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036492
4-[(4-chlorophenyl)sulfanylmethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393942
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide (CID 19332359) is 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide is Cc1cccc(C)c1OCc1ccc(C(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is MCENLKZBMFJITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-6-3-7-18(2)21(17)27-16-19-8-10-20(11-9-19)22(26)23-12-4-14-25-15-5-13-24-25/h3,5-11,13,15H,4,12,14,16H2,1-2H3,(H,23,26).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide?
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 19332359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).