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

C23H27N3O2 — CID 17499817

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16-10-11-22(17(2)12-16)28-15-23(27)24-13-21-18(3)25-26(19(21)4)14-20-8-6-5-7-9-20/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyKSDKGTUYABOUIJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.86
Rot. Bonds7

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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 17499817) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID17499817
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H27N3O2/c1-16-10-11-22(17(2)12-16)28-15-23(27)24-13-21-18(3)25-26(19(21)4)14-20-8-6-5-7-9-20/h5-12H,13-15H2,1-4H3,(H,24,27)
InChIKeyKSDKGTUYABOUIJ-UHFFFAOYSA-N
XLogP3.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 51278295
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
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]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24532850
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456585
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55467846
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 16578756
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 8944686
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-3-methoxybenzamide
CID 8944138
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide (CID 17499817) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is KSDKGTUYABOUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-10-11-22(17(2)12-16)28-15-23(27)24-13-21-18(3)25-26(19(21)4)14-20-8-6-5-7-9-20/h5-12H,13-15H2,1-4H3,(H,24,27).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 17499817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).