1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone

C9H9N3OS — CID 65360601

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1ccsc1
InChIInChI=1S/C9H9N3OS/c10-9-7(4-11-12-9)8(13)3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H3,10,11,12)
InChIKeyZVROSZPOONAQTK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.48
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone

1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone (PubChem CID 65360601) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone
PubChem CID65360601
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1ccsc1
InChIInChI=1S/C9H9N3OS/c10-9-7(4-11-12-9)8(13)3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H3,10,11,12)
InChIKeyZVROSZPOONAQTK-UHFFFAOYSA-N
XLogP1.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.48
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-thiophen-3-ylethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone (CID 65360601) is 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone is Nc1[nH]ncc1C(=O)Cc1ccsc1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone?
The InChIKey is ZVROSZPOONAQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-9-7(4-11-12-9)8(13)3-6-1-2-14-5-6/h1-2,4-5H,3H2,(H3,10,11,12).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-3-ylethanone has a molecular weight of 207.26 g/mol, XLogP of 1.48, 3 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-thiophen-3-ylethanone is sourced from PubChem (CID 65360601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).