2-thiophen-3-yl-3H-pyrazole-1-carboxamide

C8H9N3OS — CID 156598317

IUPAC2-thiophen-3-yl-3H-pyrazole-1-carboxamide
SMILESNC(=O)N1C=CCN1c1ccsc1
InChIInChI=1S/C8H9N3OS/c9-8(12)11-4-1-3-10(11)7-2-5-13-6-7/h1-2,4-6H,3H2,(H2,9,12)
InChIKeyQBXCXCCZRYZESX-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.38
Rot. Bonds1

About 2-thiophen-3-yl-3H-pyrazole-1-carboxamide

2-thiophen-3-yl-3H-pyrazole-1-carboxamide (PubChem CID 156598317) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-thiophen-3-yl-3H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name2-thiophen-3-yl-3H-pyrazole-1-carboxamide
PubChem CID156598317
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-thiophen-3-yl-3H-pyrazole-1-carboxamide
SMILESNC(=O)N1C=CCN1c1ccsc1
InChIInChI=1S/C8H9N3OS/c9-8(12)11-4-1-3-10(11)7-2-5-13-6-7/h1-2,4-6H,3H2,(H2,9,12)
InChIKeyQBXCXCCZRYZESX-UHFFFAOYSA-N
XLogP1.38
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3H-pyrazole-1-carboxamide?
The IUPAC name of 2-thiophen-3-yl-3H-pyrazole-1-carboxamide (CID 156598317) is 2-thiophen-3-yl-3H-pyrazole-1-carboxamide.
What is the SMILES notation for 2-thiophen-3-yl-3H-pyrazole-1-carboxamide?
The canonical SMILES for 2-thiophen-3-yl-3H-pyrazole-1-carboxamide is NC(=O)N1C=CCN1c1ccsc1.
What is the InChIKey of 2-thiophen-3-yl-3H-pyrazole-1-carboxamide?
The InChIKey is QBXCXCCZRYZESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-8(12)11-4-1-3-10(11)7-2-5-13-6-7/h1-2,4-6H,3H2,(H2,9,12).
What are the key properties of 2-thiophen-3-yl-3H-pyrazole-1-carboxamide?
2-thiophen-3-yl-3H-pyrazole-1-carboxamide has a molecular weight of 195.25 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3H-pyrazole-1-carboxamide is sourced from PubChem (CID 156598317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).