1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone

C16H15N5O — CID 15944231

IUPAC1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1C
InChIInChI=1S/C16H15N5O/c1-11-14(12(2)22)9-19-21(11)16-8-15(17-10-18-16)20-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18,20)
InChIKeyBGAZFUCSEDZOLA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.92
Rot. Bonds4

About 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone

1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone (PubChem CID 15944231) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
PubChem CID15944231
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1C
InChIInChI=1S/C16H15N5O/c1-11-14(12(2)22)9-19-21(11)16-8-15(17-10-18-16)20-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18,20)
InChIKeyBGAZFUCSEDZOLA-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[6-(4-chloroanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899452
1-[1-[6-(4-methoxyanilino)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4972505
5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108744669
1-[1-[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4894048
2-(6-anilinopyrimidin-4-yl)-4,5-dichloropyridazin-3-one
CID 15944232
1-[3-[[5-amino-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazol-3-yl]amino]phenyl]ethanone
CID 58976391
ethyl 4-[[6-(4-acetyl-5-methylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 7678152
1-[1-(4-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]ethanone
CID 90327142
1-[1-(6-methoxy-2-phenylpyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 7647182
1-[1-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone
CID 4899176
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-phenylhydrazine
CID 3091883
1-[3-(6-anilinopyrimidin-4-yl)phenyl]ethanone
CID 117088334

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone (CID 15944231) is 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1C.
What is the InChIKey of 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
The InChIKey is BGAZFUCSEDZOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-14(12(2)22)9-19-21(11)16-8-15(17-10-18-16)20-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18,20).
What are the key properties of 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone?
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone has a molecular weight of 293.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 15944231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).