3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one

C11H19N3O — CID 116612216

IUPAC3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)C(C)N
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)8(2)9(3)12/h5-6,8-9H,4,7,12H2,1-3H3
InChIKeyOPKRISUWZVXFTM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.46
Rot. Bonds5

About 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one

3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one (PubChem CID 116612216) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
PubChem CID116612216
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
SMILESCCCn1nccc1C(=O)C(C)C(C)N
InChIInChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)8(2)9(3)12/h5-6,8-9H,4,7,12H2,1-3H3
InChIKeyOPKRISUWZVXFTM-UHFFFAOYSA-N
XLogP1.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-(aminomethyl)-4-methyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 116597901
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240
3-methyl-4-oxo-4-(2-propylpyrazol-3-yl)butanenitrile
CID 114556724
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
3-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)pentan-1-one
CID 114972283
N-(2-methylpropyl)-2-propylpyrazole-3-carboxamide
CID 35522331
2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
CID 116554556
6-amino-4-methyl-1-(2-propylpyrazol-3-yl)hexan-1-one
CID 116581593

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The IUPAC name of 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one (CID 116612216) is 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one is CCCn1nccc1C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one?
The InChIKey is OPKRISUWZVXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-7-14-10(5-6-13-14)11(15)8(2)9(3)12/h5-6,8-9H,4,7,12H2,1-3H3.
What are the key properties of 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one?
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one is sourced from PubChem (CID 116612216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).