3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C22H25N3O2 — CID 47022940

IUPAC3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C
InChIInChI=1S/C22H25N3O2/c1-17-9-10-21(13-18(17)2)27-12-11-22(26)24(3)15-19-14-23-25(16-19)20-7-5-4-6-8-20/h4-10,13-14,16H,11-12,15H2,1-3H3
InChIKeyQIQATYRDOLDHFA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.92
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 47022940) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID47022940
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C
InChIInChI=1S/C22H25N3O2/c1-17-9-10-21(13-18(17)2)27-12-11-22(26)24(3)15-19-14-23-25(16-19)20-7-5-4-6-8-20/h4-10,13-14,16H,11-12,15H2,1-3H3
InChIKeyQIQATYRDOLDHFA-UHFFFAOYSA-N
XLogP3.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47026270
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222
N-methyl-2-(2-methylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950361
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648761
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 134039417
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166240

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 47022940) is 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is Cc1ccc(OCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is QIQATYRDOLDHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-9-10-21(13-18(17)2)27-12-11-22(26)24(3)15-19-14-23-25(16-19)20-7-5-4-6-8-20/h4-10,13-14,16H,11-12,15H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 47022940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).