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

C10H17N3O2 — CID 116567370

IUPAC3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-13-7-8(6-12-13)5-10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3
InChIKeyKXLBMWISUSJJBT-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.10
Rot. Bonds6

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

3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one (PubChem CID 116567370) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one.

Molecular Properties

Compound Name3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
PubChem CID116567370
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
SMILESCOCCC(N)C(=O)Cc1cnn(C)c1
InChIInChI=1S/C10H17N3O2/c1-13-7-8(6-12-13)5-10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3
InChIKeyKXLBMWISUSJJBT-UHFFFAOYSA-N
XLogP-0.10
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-methoxy-1-(1-methylpyrazol-4-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

4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
4-amino-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116555966
3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
CID 116567202
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
4-amino-6,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-2-one
CID 116614716
3-amino-5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116567317

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one?
The IUPAC name of 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one (CID 116567370) is 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one.
What is the SMILES notation for 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one?
The canonical SMILES for 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one is COCCC(N)C(=O)Cc1cnn(C)c1.
What is the InChIKey of 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one?
The InChIKey is KXLBMWISUSJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-7-8(6-12-13)5-10(14)9(11)3-4-15-2/h6-7,9H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one?
3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one has a molecular weight of 211.26 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one is sourced from PubChem (CID 116567370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).