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

C10H11N3OS — CID 65360119

IUPAC1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one
SMILESNc1[nH]ncc1C(=O)CCc1cccs1
InChIInChI=1S/C10H11N3OS/c11-10-8(6-12-13-10)9(14)4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H3,11,12,13)
InChIKeyHOBTZBOALLCAOC-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.87
Rot. Bonds4

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

1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one (PubChem CID 65360119) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one
PubChem CID65360119
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one
SMILESNc1[nH]ncc1C(=O)CCc1cccs1
InChIInChI=1S/C10H11N3OS/c11-10-8(6-12-13-10)9(14)4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H3,11,12,13)
InChIKeyHOBTZBOALLCAOC-UHFFFAOYSA-N
XLogP1.87
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.87
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)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one (CID 65360119) is 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one is Nc1[nH]ncc1C(=O)CCc1cccs1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is HOBTZBOALLCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c11-10-8(6-12-13-10)9(14)4-3-7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H3,11,12,13).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one?
1-(5-amino-1H-pyrazol-4-yl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 221.29 g/mol, XLogP of 1.87, 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)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 65360119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).