3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one

C12H21N3O — CID 116565240

IUPAC3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)C(C)CNCC
InChIInChI=1S/C12H21N3O/c1-4-8-15-11(6-7-14-15)12(16)10(3)9-13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyMJMKSHWPJXTMOE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds7

About 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one

3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one (PubChem CID 116565240) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
PubChem CID116565240
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
SMILESCCCn1nccc1C(=O)C(C)CNCC
InChIInChI=1S/C12H21N3O/c1-4-8-15-11(6-7-14-15)12(16)10(3)9-13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3
InChIKeyMJMKSHWPJXTMOE-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
2-propylpyrazole-3-carboxylic acid
CID 7017775
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
2-methyl-3-(methylamino)-1-(2-methylpyrazol-3-yl)propan-1-one
CID 116586751
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-methylhexan-1-one
CID 114278096
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one?
The IUPAC name of 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one (CID 116565240) is 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one is CCCn1nccc1C(=O)C(C)CNCC.
What is the InChIKey of 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one?
The InChIKey is MJMKSHWPJXTMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-8-15-11(6-7-14-15)12(16)10(3)9-13-5-2/h6-7,10,13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one?
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 116565240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).