2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide

C21H23N3O2 — CID 959425

IUPAC2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-20(16(2)24(3)23-15)13-17-9-11-18(12-10-17)22-21(25)14-26-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyITMXCZRZEYSNST-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.65
Rot. Bonds6

About 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide

2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide (PubChem CID 959425) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
PubChem CID959425
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-15-20(16(2)24(3)23-15)13-17-9-11-18(12-10-17)22-21(25)14-26-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyITMXCZRZEYSNST-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 19631449
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629323
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
3-(3-methoxy-1,2-oxazol-5-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 71709865
3-butoxy-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide
CID 22782589
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide (CID 959425) is 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccccc2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide?
The InChIKey is ITMXCZRZEYSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-20(16(2)24(3)23-15)13-17-9-11-18(12-10-17)22-21(25)14-26-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide?
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 959425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).