5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide

C9H8N4O2S — CID 4198291

IUPAC5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC(=O)c1cccs1
InChIInChI=1S/C9H8N4O2S/c10-7(14)5-4-11-13-8(5)12-9(15)6-2-1-3-16-6/h1-4H,(H2,10,14)(H2,11,12,13,15)
InChIKeyJTDZOGHGKDACGL-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.82
Rot. Bonds3

About 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide

5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide (PubChem CID 4198291) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide
PubChem CID4198291
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1NC(=O)c1cccs1
InChIInChI=1S/C9H8N4O2S/c10-7(14)5-4-11-13-8(5)12-9(15)6-2-1-3-16-6/h1-4H,(H2,10,14)(H2,11,12,13,15)
InChIKeyJTDZOGHGKDACGL-UHFFFAOYSA-N
XLogP0.82
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide (CID 4198291) is 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1NC(=O)c1cccs1.
What is the InChIKey of 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is JTDZOGHGKDACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c10-7(14)5-4-11-13-8(5)12-9(15)6-2-1-3-16-6/h1-4H,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide?
5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophene-2-carbonylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 4198291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).