2-anilino-1-pyrazol-1-ylpropan-1-one

C12H13N3O — CID 141299756

IUPAC2-anilino-1-pyrazol-1-ylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)n1cccn1
InChIInChI=1S/C12H13N3O/c1-10(12(16)15-9-5-8-13-15)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChIKeyOINXGYXPGXEIOO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.02
Rot. Bonds3

About 2-anilino-1-pyrazol-1-ylpropan-1-one

2-anilino-1-pyrazol-1-ylpropan-1-one (PubChem CID 141299756) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-anilino-1-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-anilino-1-pyrazol-1-ylpropan-1-one
PubChem CID141299756
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-anilino-1-pyrazol-1-ylpropan-1-one
SMILESCC(Nc1ccccc1)C(=O)n1cccn1
InChIInChI=1S/C12H13N3O/c1-10(12(16)15-9-5-8-13-15)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChIKeyOINXGYXPGXEIOO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
methyl 2-anilinopropanoate
CID 3417283
2-anilino-1-phenylpropan-1-one
CID 577481
acetaldehyde;2-anilinopropanoyl chloride
CID 174623203
2-anilino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 82044614
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-pyrazol-1-ylpropan-1-one?
The IUPAC name of 2-anilino-1-pyrazol-1-ylpropan-1-one (CID 141299756) is 2-anilino-1-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 2-anilino-1-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 2-anilino-1-pyrazol-1-ylpropan-1-one is CC(Nc1ccccc1)C(=O)n1cccn1.
What is the InChIKey of 2-anilino-1-pyrazol-1-ylpropan-1-one?
The InChIKey is OINXGYXPGXEIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-10(12(16)15-9-5-8-13-15)14-11-6-3-2-4-7-11/h2-10,14H,1H3.
What are the key properties of 2-anilino-1-pyrazol-1-ylpropan-1-one?
2-anilino-1-pyrazol-1-ylpropan-1-one has a molecular weight of 215.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 141299756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).