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

C12H13N3O — CID 82536724

IUPAC1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O/c1-9(16)10-4-3-5-11(6-10)14-12-7-13-15(2)8-12/h3-8,14H,1-2H3
InChIKeyUJXQRVBKSOPRNO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.37
Rot. Bonds3

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

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone (PubChem CID 82536724) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
PubChem CID82536724
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cnn(C)c2)c1
InChIInChI=1S/C12H13N3O/c1-9(16)10-4-3-5-11(6-10)14-12-7-13-15(2)8-12/h3-8,14H,1-2H3
InChIKeyUJXQRVBKSOPRNO-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone (CID 82536724) is 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cnn(C)c2)c1.
What is the InChIKey of 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone?
The InChIKey is UJXQRVBKSOPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(16)10-4-3-5-11(6-10)14-12-7-13-15(2)8-12/h3-8,14H,1-2H3.
What are the key properties of 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone?
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone has a molecular weight of 215.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 82536724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).