2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone

C13H15N3O — CID 123817461

IUPAC2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C13H15N3O/c1-14-9-13(17)11-5-3-10(4-6-11)12-7-8-15-16(12)2/h3-8,14H,9H2,1-2H3
InChIKeyQPLODIFEGYCCHT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.49
Rot. Bonds4

About 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone

2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone (PubChem CID 123817461) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone
PubChem CID123817461
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccc(-c2ccnn2C)cc1
InChIInChI=1S/C13H15N3O/c1-14-9-13(17)11-5-3-10(4-6-11)12-7-8-15-16(12)2/h3-8,14H,9H2,1-2H3
InChIKeyQPLODIFEGYCCHT-UHFFFAOYSA-N
XLogP1.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
methyl (2S)-2-amino-3-[4-(2-methylpyrazol-3-yl)phenyl]propanoate;dihydrochloride
CID 66719717
N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 155801056
4-(2-methylpyrazol-3-yl)benzene-1,2-diamine
CID 91618945
3-(2-methylpyrazol-3-yl)benzoate
CID 42556015
methyl 2-fluoro-4-(2-methylpyrazol-3-yl)benzoate
CID 135274935
2-fluoro-4-(2-methylpyrazol-3-yl)benzoic acid
CID 63961568
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
CID 117298432
(1S,5S)-2-[4-(2-methylpyrazol-3-yl)benzoyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid
CID 167747624
3-[5-(4-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]phenyl]pyrrol-2-yl]propanoic acid
CID 58305715

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone (CID 123817461) is 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone is CNCC(=O)c1ccc(-c2ccnn2C)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone?
The InChIKey is QPLODIFEGYCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-14-9-13(17)11-5-3-10(4-6-11)12-7-8-15-16(12)2/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone?
2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(2-methylpyrazol-3-yl)phenyl]ethanone is sourced from PubChem (CID 123817461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).