N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide

C22H25N3O2 — CID 35285924

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1C
InChIInChI=1S/C22H25N3O2/c1-5-25-17(3)21(16(2)23-25)15-24(4)22(26)18-10-9-13-20(14-18)27-19-11-7-6-8-12-19/h6-14H,5,15H2,1-4H3
InChIKeyWJMATQDJRJFGLC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.58
Rot. Bonds6

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide (PubChem CID 35285924) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide
PubChem CID35285924
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide
SMILESCCn1nc(C)c(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1C
InChIInChI=1S/C22H25N3O2/c1-5-25-17(3)21(16(2)23-25)15-24(4)22(26)18-10-9-13-20(14-18)27-19-11-7-6-8-12-19/h6-14H,5,15H2,1-4H3
InChIKeyWJMATQDJRJFGLC-UHFFFAOYSA-N
XLogP4.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(2-methoxyphenoxy)methyl]-N-methylbenzamide
CID 19453949
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454029
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2,6-dimethoxy-N-methylbenzamide
CID 19454037
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 19454035
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 19453940
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19454073
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
1-[(3-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278841
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-phenoxybenzamide
CID 17442743
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
5-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylfuran-2-carboxamide
CID 19453938

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide (CID 35285924) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide is CCn1nc(C)c(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide?
The InChIKey is WJMATQDJRJFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-25-17(3)21(16(2)23-25)15-24(4)22(26)18-10-9-13-20(14-18)27-19-11-7-6-8-12-19/h6-14H,5,15H2,1-4H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-3-phenoxybenzamide is sourced from PubChem (CID 35285924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).