N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H25N3O2 — CID 60552750

IUPACN-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-16(2)20-10-9-17(3)11-21(20)27-15-22(26)24-19-12-23-25(14-19)13-18-7-5-4-6-8-18/h4-12,14,16H,13,15H2,1-3H3,(H,24,26)
InChIKeyAPZSMFACTSKNMR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.38
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 60552750) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID60552750
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C22H25N3O2/c1-16(2)20-10-9-17(3)11-21(20)27-15-22(26)24-19-12-23-25(14-19)13-18-7-5-4-6-8-18/h4-12,14,16H,13,15H2,1-3H3,(H,24,26)
InChIKeyAPZSMFACTSKNMR-UHFFFAOYSA-N
XLogP4.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19336201
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
N-[3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231324
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19397652
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(2-methylphenoxy)acetamide
CID 19338560
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19346335
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 60552750) is N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is APZSMFACTSKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16(2)20-10-9-17(3)11-21(20)27-15-22(26)24-19-12-23-25(14-19)13-18-7-5-4-6-8-18/h4-12,14,16H,13,15H2,1-3H3,(H,24,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 363.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 60552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).