1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one

C17H17N3O — CID 116604835

IUPAC1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
SMILESCn1cc(C(N)C(=O)Cc2cccc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-20-11-14(10-19-20)17(18)16(21)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11,17H,9,18H2,1H3
InChIKeyQJRGNMYCUPVECA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.38
Rot. Bonds4

About 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one

1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one (PubChem CID 116604835) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
PubChem CID116604835
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
SMILESCn1cc(C(N)C(=O)Cc2cccc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-20-11-14(10-19-20)17(18)16(21)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11,17H,9,18H2,1H3
InChIKeyQJRGNMYCUPVECA-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604871
1-amino-3-(5-chlorothiophen-2-yl)-1-(1-methylpyrazol-4-yl)propan-2-one
CID 116604948
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
1-amino-6-methyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116604936
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107842800
2-amino-N-[(3-bromophenyl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290479
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290057
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one (CID 116604835) is 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one is Cn1cc(C(N)C(=O)Cc2cccc3ccccc23)cn1.
What is the InChIKey of 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one?
The InChIKey is QJRGNMYCUPVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-11-14(10-19-20)17(18)16(21)9-13-7-4-6-12-5-2-3-8-15(12)13/h2-8,10-11,17H,9,18H2,1H3.
What are the key properties of 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one?
1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 116604835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).