2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone

C15H19N3O — CID 107331688

IUPAC2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
SMILESCC(C)(C)NCC(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-15(2,3)16-11-14(19)13-9-10-17-18(13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyZWNAHZYJNVEGND-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds4

About 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone

2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone (PubChem CID 107331688) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
PubChem CID107331688
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
SMILESCC(C)(C)NCC(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H19N3O/c1-15(2,3)16-11-14(19)13-9-10-17-18(13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3
InChIKeyZWNAHZYJNVEGND-UHFFFAOYSA-N
XLogP2.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
1-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 25855841
N-butyl-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193355
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 34244817
1-Phenyl-1H-pyrazole-3-carbaldehyde
CID 13432476
1-(1-phenyl-1H-pyrazol-5-yl)ethan-1-one
CID 53421979
1-phenyl-1H-pyrazole-5-carbaldehyde
CID 2776567
N-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 1509154
(E)-1-ethyl-N-(4-(phenyldiazenyl)phenyl)-1H-pyrazole-5-carboxamide
CID 42111304
2,2-dimethyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]propanamide
CID 51105932

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone (CID 107331688) is 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone is CC(C)(C)NCC(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone?
The InChIKey is ZWNAHZYJNVEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)16-11-14(19)13-9-10-17-18(13)12-7-5-4-6-8-12/h4-10,16H,11H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone?
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107331688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).