5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide

C12H10N4OS — CID 61393369

IUPAC5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)Nc3ccn[nH]3)cc2c1
InChIInChI=1S/C12H10N4OS/c13-8-1-2-9-7(5-8)6-10(18-9)12(17)15-11-3-4-14-16-11/h1-6H,13H2,(H2,14,15,16,17)
InChIKeyICBHRHQVYMHQFQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.46
Rot. Bonds2

About 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide

5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 61393369) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID61393369
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESNc1ccc2sc(C(=O)Nc3ccn[nH]3)cc2c1
InChIInChI=1S/C12H10N4OS/c13-8-1-2-9-7(5-8)6-10(18-9)12(17)15-11-3-4-14-16-11/h1-6H,13H2,(H2,14,15,16,17)
InChIKeyICBHRHQVYMHQFQ-UHFFFAOYSA-N
XLogP2.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 61393369) is 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide is Nc1ccc2sc(C(=O)Nc3ccn[nH]3)cc2c1.
What is the InChIKey of 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is ICBHRHQVYMHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c13-8-1-2-9-7(5-8)6-10(18-9)12(17)15-11-3-4-14-16-11/h1-6H,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide?
5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 258.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-pyrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61393369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).