2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone

C17H15N3O — CID 107331594

IUPAC2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESNC(C(=O)c1ccnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c18-16(13-7-3-1-4-8-13)17(21)15-11-12-19-20(15)14-9-5-2-6-10-14/h1-12,16H,18H2
InChIKeyUVTPVJASHZVSPW-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone

2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone (PubChem CID 107331594) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
PubChem CID107331594
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone
SMILESNC(C(=O)c1ccnn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c18-16(13-7-3-1-4-8-13)17(21)15-11-12-19-20(15)14-9-5-2-6-10-14/h1-12,16H,18H2
InChIKeyUVTPVJASHZVSPW-UHFFFAOYSA-N
XLogP2.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
2-phenylpyrazole-3-carbothioamide
CID 83387115
5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
CID 107331736
1-(2-phenylpyrazol-3-yl)ethenamine
CID 169217922
2-ethoxy-3,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107330242
2-(aminomethyl)-2-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107331719
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
2-(3-propan-2-ylphenyl)pyrazole-3-carboxylic acid
CID 20982103
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
(2-methylsulfanylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331845
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
2-amino-1-(1-methylpyrazol-4-yl)-2-phenylethanone
CID 116551131

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone?
The IUPAC name of 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone (CID 107331594) is 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone is NC(C(=O)c1ccnn1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone?
The InChIKey is UVTPVJASHZVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-16(13-7-3-1-4-8-13)17(21)15-11-12-19-20(15)14-9-5-2-6-10-14/h1-12,16H,18H2.
What are the key properties of 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone?
2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone has a molecular weight of 277.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(2-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 107331594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).