1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone

C11H13N3OS — CID 65360332

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cn[nH]c2N)s1
InChIInChI=1S/C11H13N3OS/c1-2-7-3-4-8(16-7)5-10(15)9-6-13-14-11(9)12/h3-4,6H,2,5H2,1H3,(H3,12,13,14)
InChIKeyVWTXQSGPHBPZRI-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone

1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 65360332) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID65360332
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cn[nH]c2N)s1
InChIInChI=1S/C11H13N3OS/c1-2-7-3-4-8(16-7)5-10(15)9-6-13-14-11(9)12/h3-4,6H,2,5H2,1H3,(H3,12,13,14)
InChIKeyVWTXQSGPHBPZRI-UHFFFAOYSA-N
XLogP2.04
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone (CID 65360332) is 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2cn[nH]c2N)s1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is VWTXQSGPHBPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-7-3-4-8(16-7)5-10(15)9-6-13-14-11(9)12/h3-4,6H,2,5H2,1H3,(H3,12,13,14).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 235.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 65360332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).