N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide

C14H12N4OS — CID 62881561

IUPACN-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H12N4OS/c15-11-1-3-12(4-2-11)18-13(5-7-16-18)17-14(19)10-6-8-20-9-10/h1-9H,15H2,(H,17,19)
InChIKeyUOEPPCQTXMOMAD-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.77
Rot. Bonds3

About N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide

N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide (PubChem CID 62881561) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
PubChem CID62881561
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
SMILESNc1ccc(-n2nccc2NC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H12N4OS/c15-11-1-3-12(4-2-11)18-13(5-7-16-18)17-14(19)10-6-8-20-9-10/h1-9H,15H2,(H,17,19)
InChIKeyUOEPPCQTXMOMAD-UHFFFAOYSA-N
XLogP2.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide (CID 62881561) is N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide is Nc1ccc(-n2nccc2NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide?
The InChIKey is UOEPPCQTXMOMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-11-1-3-12(4-2-11)18-13(5-7-16-18)17-14(19)10-6-8-20-9-10/h1-9H,15H2,(H,17,19).
What are the key properties of N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide?
N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 62881561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).