N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C17H23N3O — CID 27285546

IUPACN-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-8-6-14(7-9-15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyUPAPLDKYYDELNE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 27285546) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID27285546
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-8-6-14(7-9-15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyUPAPLDKYYDELNE-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-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
3-chloro-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 81369984
3-[2-(4-tert-butylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82194777
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
2-chloro-4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34747067
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylbut-3-yn-2-yl)acetamide
CID 63999923

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 27285546) is N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is UPAPLDKYYDELNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)11-16(21)18-15-8-6-14(7-9-15)17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21).
What are the key properties of N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(4-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-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 27285546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).