2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one

C10H17N3O — CID 116554556

IUPAC2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1ccnn1CC
InChIInChI=1S/C10H17N3O/c1-3-5-8(11)10(14)9-6-7-12-13(9)4-2/h6-8H,3-5,11H2,1-2H3
InChIKeyGJBAQYMAMIRHFB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one

2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one (PubChem CID 116554556) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
PubChem CID116554556
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
SMILESCCCC(N)C(=O)c1ccnn1CC
InChIInChI=1S/C10H17N3O/c1-3-5-8(11)10(14)9-6-7-12-13(9)4-2/h6-8H,3-5,11H2,1-2H3
InChIKeyGJBAQYMAMIRHFB-UHFFFAOYSA-N
XLogP1.21
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379
2-amino-4-methoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116567267
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
3-amino-1-(2-ethylpyrazol-3-yl)-5,5-dimethylhexan-1-one
CID 116614577
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
3-amino-2-methyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116612216
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
1-(2-ethylpyrazol-3-yl)ethenamine
CID 178160278
1-[2-(3-methoxypropyl)pyrazol-3-yl]-2-propylpentan-1-one
CID 114278097
4-(2-aminoethyl)-1-(2-ethylpyrazol-3-yl)-5-methylhexan-1-one
CID 116577864

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one (CID 116554556) is 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one is CCCC(N)C(=O)c1ccnn1CC.
What is the InChIKey of 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one?
The InChIKey is GJBAQYMAMIRHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-8(11)10(14)9-6-7-12-13(9)4-2/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one?
2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one is sourced from PubChem (CID 116554556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).