1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone

C7H11N3O — CID 146364162

IUPAC1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone
SMILESCCNc1[nH]ncc1C(C)=O
InChIInChI=1S/C7H11N3O/c1-3-8-7-6(5(2)11)4-9-10-7/h4H,3H2,1-2H3,(H2,8,9,10)
InChIKeyBEYOEIOUMJWSAZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.04
Rot. Bonds3

About 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone

1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone (PubChem CID 146364162) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone
PubChem CID146364162
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone
SMILESCCNc1[nH]ncc1C(C)=O
InChIInChI=1S/C7H11N3O/c1-3-8-7-6(5(2)11)4-9-10-7/h4H,3H2,1-2H3,(H2,8,9,10)
InChIKeyBEYOEIOUMJWSAZ-UHFFFAOYSA-N
XLogP1.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone (CID 146364162) is 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone is CCNc1[nH]ncc1C(C)=O.
What is the InChIKey of 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone?
The InChIKey is BEYOEIOUMJWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-8-7-6(5(2)11)4-9-10-7/h4H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone?
1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 146364162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).