N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C17H23N3O — CID 110690077

IUPACN-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-9-7-6-8-14(15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyKRQZKLZABOXMHN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 110690077) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID110690077
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-9-7-6-8-14(15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyKRQZKLZABOXMHN-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylbut-3-yn-2-yl)acetamide
CID 63999923
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-fluorophenoxy)phenyl]acetamide
CID 52725356
N-(2-tert-butylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2480341
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 110690077) is N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is KRQZKLZABOXMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-9-7-6-8-14(15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 110690077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).