N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide

C15H17N3O2 — CID 110168746

IUPACN-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C(C)=O)c(C)c1Cc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-10-14(9-13-7-5-4-6-8-13)15(16-11(2)19)17-18(10)12(3)20/h4-8H,9H2,1-3H3,(H,16,17,19)
InChIKeyTYGPXTAINBKLBC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds3

About N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide

N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 110168746) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide
PubChem CID110168746
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide
SMILESCC(=O)Nc1nn(C(C)=O)c(C)c1Cc1ccccc1
InChIInChI=1S/C15H17N3O2/c1-10-14(9-13-7-5-4-6-8-13)15(16-11(2)19)17-18(10)12(3)20/h4-8H,9H2,1-3H3,(H,16,17,19)
InChIKeyTYGPXTAINBKLBC-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-3,5-dimethylpyrazole-1-carboxylic acid;hydrochloride
CID 70610186
4-benzyl-3,5-dimethylpyrazole-1-carbodithioic acid
CID 132993214
2-acetamido-3-benzyl-4-hydroxybenzoic acid
CID 146409350
N-(3-benzyl-5-phenylpyrazin-2-yl)acetamide
CID 10851965
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
3-acetamido-2-benzyl-4-hydroxybenzoic acid
CID 146409348
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone
CID 102487882
2-benzyl-1,3-dichlorobenzene;bromobenzene;N-(2,6-dichlorophenyl)acetamide;methane
CID 160641235
6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 4547315
benzylbenzene;ethane;methane;methoxymethane;methyl acetate
CID 158415812

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide (CID 110168746) is N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide is CC(=O)Nc1nn(C(C)=O)c(C)c1Cc1ccccc1.
What is the InChIKey of N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is TYGPXTAINBKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-14(9-13-7-5-4-6-8-13)15(16-11(2)19)17-18(10)12(3)20/h4-8H,9H2,1-3H3,(H,16,17,19).
What are the key properties of N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide?
N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-4-benzyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 110168746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).