N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide

C22H25N3O2 — CID 142437020

IUPACN-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCc3c(C)nn(C)c3C)cc2)c1C
InChIInChI=1S/C22H25N3O2/c1-14-7-6-8-21(15(14)2)23-22(26)18-9-11-19(12-10-18)27-13-20-16(3)24-25(5)17(20)4/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyLJXKORUXLSXHBG-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.49
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide

N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide (PubChem CID 142437020) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
PubChem CID142437020
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCc3c(C)nn(C)c3C)cc2)c1C
InChIInChI=1S/C22H25N3O2/c1-14-7-6-8-21(15(14)2)23-22(26)18-9-11-19(12-10-18)27-13-20-16(3)24-25(5)17(20)4/h6-12H,13H2,1-5H3,(H,23,26)
InChIKeyLJXKORUXLSXHBG-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[N-(2,3-dimethylphenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]-4-methoxybenzamide
CID 46293762
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
3-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20985309
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 29097096
N-(2,3-dimethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 53284080
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-[N-(2,3-dimethylphenyl)-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamimidoyl]-3-methylbenzamide
CID 46293498
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
N-(2,3-dichlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 135338189

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide (CID 142437020) is N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide is Cc1cccc(NC(=O)c2ccc(OCc3c(C)nn(C)c3C)cc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide?
The InChIKey is LJXKORUXLSXHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-7-6-8-21(15(14)2)23-22(26)18-9-11-19(12-10-18)27-13-20-16(3)24-25(5)17(20)4/h6-12H,13H2,1-5H3,(H,23,26).
What are the key properties of N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide?
N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 142437020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).