3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one

C11H18ClN3O — CID 116583961

IUPAC3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one
SMILESCCC(N)C(=O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H18ClN3O/c1-4-8(13)10(16)6-9-11(12)7(3)14-15(9)5-2/h8H,4-6,13H2,1-3H3
InChIKeyOZKRMKBXDUFDRI-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one

3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one (PubChem CID 116583961) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one
PubChem CID116583961
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one
SMILESCCC(N)C(=O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C11H18ClN3O/c1-4-8(13)10(16)6-9-11(12)7(3)14-15(9)5-2/h8H,4-6,13H2,1-3H3
InChIKeyOZKRMKBXDUFDRI-UHFFFAOYSA-N
XLogP1.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-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

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-one
CID 79496140
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-one
CID 114980636
5-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116594833
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103862
3-(aminomethyl)-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116610821
3-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-one
CID 116593988
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]butan-1-ol
CID 66060491
1-[1-(aminomethyl)cycloheptyl]-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602069
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543734
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-phenylbutan-2-one
CID 116563879
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanone
CID 114980678

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one?
The IUPAC name of 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one (CID 116583961) is 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one is CCC(N)C(=O)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one?
The InChIKey is OZKRMKBXDUFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-8(13)10(16)6-9-11(12)7(3)14-15(9)5-2/h8H,4-6,13H2,1-3H3.
What are the key properties of 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one?
3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one has a molecular weight of 243.74 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)pentan-2-one is sourced from PubChem (CID 116583961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).