2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

C13H23N3O — CID 103130447

IUPAC2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccn(C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(4,16(7-2)8-3)12(17)11-9-10-15(5)14-11/h9-10H,6-8H2,1-5H3
InChIKeyPCZFCHHTRYFONC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one

2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one (PubChem CID 103130447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
PubChem CID103130447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1ccn(C)n1
InChIInChI=1S/C13H23N3O/c1-6-13(4,16(7-2)8-3)12(17)11-9-10-15(5)14-11/h9-10H,6-8H2,1-5H3
InChIKeyPCZFCHHTRYFONC-UHFFFAOYSA-N
XLogP2.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
2-(diethylamino)-2-methyl-1-(3-methyltriazol-4-yl)butan-1-one
CID 114685974
2-ethyl-1-(1-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-one
CID 103130452
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489
2-methyl-1-(1-methylpyrazol-3-yl)-2-piperidin-1-ylpropan-1-one
CID 103130444
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
tert-butyl 4-(1-methylpyrazol-3-yl)-4-oxobutanoate
CID 166705249
1-methylpyrazole-3-carboxamide
CID 13464586
N-(1-chloro-3-methylpentan-3-yl)-1-methylpyrazole-3-carboxamide
CID 106168564
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
CID 103130398
3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103133867
2-(diethylamino)-2-methyl-1-(3-propylphenyl)butan-1-one
CID 116543338

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one (CID 103130447) is 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one is CCN(CC)C(C)(CC)C(=O)c1ccn(C)n1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
The InChIKey is PCZFCHHTRYFONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-13(4,16(7-2)8-3)12(17)11-9-10-15(5)14-11/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one?
2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one has a molecular weight of 237.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 103130447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).