2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide

C22H26N4O2 — CID 35603276

IUPAC2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C22H26N4O2/c1-16-21(17(2)26(25-16)14-19-6-4-3-5-7-19)13-24-12-18-8-10-20(11-9-18)28-15-22(23)27/h3-11,24H,12-15H2,1-2H3,(H2,23,27)
InChIKeyZSGBROCMOMVKAC-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.70
Rot. Bonds9

About 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide

2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide (PubChem CID 35603276) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide
PubChem CID35603276
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C22H26N4O2/c1-16-21(17(2)26(25-16)14-19-6-4-3-5-7-19)13-24-12-18-8-10-20(11-9-18)28-15-22(23)27/h3-11,24H,12-15H2,1-2H3,(H2,23,27)
InChIKeyZSGBROCMOMVKAC-UHFFFAOYSA-N
XLogP2.70
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55607454
2-[4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenoxy]acetamide
CID 28664404
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-1-[4-(phenoxymethyl)phenyl]ethanone
CID 159041371
N-[3-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]-2-chlorobenzamide
CID 26690994
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 51326943
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(difluoromethoxy)benzamide
CID 27331273
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602671
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide (CID 35603276) is 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is ZSGBROCMOMVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-21(17(2)26(25-16)14-19-6-4-3-5-7-19)13-24-12-18-8-10-20(11-9-18)28-15-22(23)27/h3-11,24H,12-15H2,1-2H3,(H2,23,27).
What are the key properties of 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide?
2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 35603276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).