N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide

C16H21N3O — CID 47156271

IUPACN-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1C(C)(C)C)n1cccn1
InChIInChI=1S/C16H21N3O/c1-12(19-11-7-10-17-19)15(20)18-14-9-6-5-8-13(14)16(2,3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyWHYLFEOJRNEWDG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide

N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 47156271) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID47156271
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccccc1C(C)(C)C)n1cccn1
InChIInChI=1S/C16H21N3O/c1-12(19-11-7-10-17-19)15(20)18-14-9-6-5-8-13(14)16(2,3)4/h5-12H,1-4H3,(H,18,20)
InChIKeyWHYLFEOJRNEWDG-UHFFFAOYSA-N
XLogP3.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533
N-methyl-2-(2-pyrazol-1-ylpropanoylamino)benzamide
CID 43055255
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-pyrazol-1-yl-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
CID 71898167
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-(2-bromo-3-chlorophenyl)-2-pyrazol-1-ylpropanamide
CID 103479974
(2R)-N-[2,4-difluoro-5-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 97320876
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048421
N-(2-ethoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 47177158
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide (CID 47156271) is N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccccc1C(C)(C)C)n1cccn1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is WHYLFEOJRNEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(19-11-7-10-17-19)15(20)18-14-9-6-5-8-13(14)16(2,3)4/h5-12H,1-4H3,(H,18,20).
What are the key properties of N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide?
N-(2-tert-butylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 3.38, 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-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).