2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

C17H23N3O — CID 107330168

IUPAC2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-5-19(6-2)17(3,4)16(21)15-12-13-18-20(15)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyJYASIPKAHGXREG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds6

About 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (PubChem CID 107330168) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
PubChem CID107330168
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCCN(CC)C(C)(C)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-5-19(6-2)17(3,4)16(21)15-12-13-18-20(15)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3
InChIKeyJYASIPKAHGXREG-UHFFFAOYSA-N
XLogP3.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330243
2-(aminomethyl)-2-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107331719
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
2-ethoxy-3,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107330242
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
2-phenylpyrazole-3-carbothioamide
CID 83387115
(1-methylimidazol-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107977650
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
CID 107330172
5-amino-2-methyl-1-(2-phenylpyrazol-3-yl)pentan-1-one
CID 107331736

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (CID 107330168) is 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one is CCN(CC)C(C)(C)C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The InChIKey is JYASIPKAHGXREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-19(6-2)17(3,4)16(21)15-12-13-18-20(15)14-10-8-7-9-11-14/h7-13H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one has a molecular weight of 285.39 g/mol, XLogP of 3.18, 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-(2-phenylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 107330168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).