4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one

C15H27N3O — CID 79076883

IUPAC4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCN(CC)CC)n(CC)n1
InChIInChI=1S/C15H27N3O/c1-5-13-11-14(18(8-4)16-13)12-15(19)9-10-17(6-2)7-3/h11H,5-10,12H2,1-4H3
InChIKeyVLSFMSDOVJZKAG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.31
Rot. Bonds9

About 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one

4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one (PubChem CID 79076883) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
PubChem CID79076883
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
SMILESCCc1cc(CC(=O)CCN(CC)CC)n(CC)n1
InChIInChI=1S/C15H27N3O/c1-5-13-11-14(18(8-4)16-13)12-15(19)9-10-17(6-2)7-3/h11H,5-10,12H2,1-4H3
InChIKeyVLSFMSDOVJZKAG-UHFFFAOYSA-N
XLogP2.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-(1,3-diethylpyrazol-5-yl)heptan-2-one
CID 115778877
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
1-anilino-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 116555433
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(4-bromophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-one
CID 66055470
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The IUPAC name of 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one (CID 79076883) is 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one.
What is the SMILES notation for 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The canonical SMILES for 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one is CCc1cc(CC(=O)CCN(CC)CC)n(CC)n1.
What is the InChIKey of 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
The InChIKey is VLSFMSDOVJZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-13-11-14(18(8-4)16-13)12-15(19)9-10-17(6-2)7-3/h11H,5-10,12H2,1-4H3.
What are the key properties of 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one?
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one has a molecular weight of 265.40 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one is sourced from PubChem (CID 79076883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).