1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one

C16H21N3O — CID 116555433

IUPAC1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
SMILESCCc1cc(CC(=O)CNc2ccccc2)n(CC)n1
InChIInChI=1S/C16H21N3O/c1-3-13-10-15(19(4-2)18-13)11-16(20)12-17-14-8-6-5-7-9-14/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyCMFKWIBUOUQSEV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.69
Rot. Bonds7

About 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one

1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one (PubChem CID 116555433) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
PubChem CID116555433
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
SMILESCCc1cc(CC(=O)CNc2ccccc2)n(CC)n1
InChIInChI=1S/C16H21N3O/c1-3-13-10-15(19(4-2)18-13)11-16(20)12-17-14-8-6-5-7-9-14/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyCMFKWIBUOUQSEV-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-anilino-3-(4-bromo-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555306
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
1-(2-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66142679
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
1-(1,3-diethylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116586963
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
1-(3-bromo-2-pyridinyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 113398236

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one?
The IUPAC name of 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one (CID 116555433) is 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one is CCc1cc(CC(=O)CNc2ccccc2)n(CC)n1.
What is the InChIKey of 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one?
The InChIKey is CMFKWIBUOUQSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-13-10-15(19(4-2)18-13)11-16(20)12-17-14-8-6-5-7-9-14/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one?
1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one is sourced from PubChem (CID 116555433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).