1-(5-amino-1-ethylpyrazol-4-yl)ethanone

C7H11N3O — CID 119054334

IUPAC1-(5-amino-1-ethylpyrazol-4-yl)ethanone
SMILESCCn1ncc(C(C)=O)c1N
InChIInChI=1S/C7H11N3O/c1-3-10-7(8)6(4-9-10)5(2)11/h4H,3,8H2,1-2H3
InChIKeyFCGFNALMJBJTKL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.69
Rot. Bonds2

About 1-(5-amino-1-ethylpyrazol-4-yl)ethanone

1-(5-amino-1-ethylpyrazol-4-yl)ethanone (PubChem CID 119054334) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(5-amino-1-ethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1-ethylpyrazol-4-yl)ethanone
PubChem CID119054334
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-(5-amino-1-ethylpyrazol-4-yl)ethanone
SMILESCCn1ncc(C(C)=O)c1N
InChIInChI=1S/C7H11N3O/c1-3-10-7(8)6(4-9-10)5(2)11/h4H,3,8H2,1-2H3
InChIKeyFCGFNALMJBJTKL-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
CID 167078584
1-(5-amino-1-propan-2-ylpyrazol-4-yl)ethanone
CID 119054332
(3-fluorophenyl) 5-amino-1-ethylpyrazole-4-carboxylate
CID 117213840
1-(5-ethyl-1-methylpyrazol-4-yl)ethanone
CID 23005694
N-(4-acetylphenyl)-4-amino-1-ethylpyrazole-5-carboxamide
CID 65357059
S-methyl 4-amino-1-ethylpyrazole-5-carbothioate
CID 117219174
1-ethyl-5-methoxypyrazole-4-carboxamide
CID 135349343
1-[5-(aminomethyl)-1-methylpyrazol-4-yl]ethanone
CID 165464413
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
ethyl 5-amino-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 43145818
[3-(trifluoromethyl)phenyl] 5-amino-1-ethylpyrazole-4-carboxylate
CID 117213829
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-ethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-amino-1-ethylpyrazol-4-yl)ethanone (CID 119054334) is 1-(5-amino-1-ethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1-ethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-amino-1-ethylpyrazol-4-yl)ethanone is CCn1ncc(C(C)=O)c1N.
What is the InChIKey of 1-(5-amino-1-ethylpyrazol-4-yl)ethanone?
The InChIKey is FCGFNALMJBJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-10-7(8)6(4-9-10)5(2)11/h4H,3,8H2,1-2H3.
What are the key properties of 1-(5-amino-1-ethylpyrazol-4-yl)ethanone?
1-(5-amino-1-ethylpyrazol-4-yl)ethanone has a molecular weight of 153.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-ethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 119054334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).