N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide

C15H19N3O — CID 47141475

IUPACN-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)9-12-10-16-18(11-12)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,17,19)
InChIKeyNSLYMUMZCVNWBQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds3

About N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 47141475) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID47141475
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H19N3O/c1-15(2,3)17-14(19)9-12-10-16-18(11-12)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,17,19)
InChIKeyNSLYMUMZCVNWBQ-UHFFFAOYSA-N
XLogP2.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 51075473
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N-tert-butyl-2-[5-(1-phenylpyrazol-4-yl)imidazol-1-yl]acetamide
CID 46980269
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622498
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide (CID 47141475) is N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide is CC(C)(C)NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is NSLYMUMZCVNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)17-14(19)9-12-10-16-18(11-12)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide?
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47141475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).