5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide

C14H14N4O2 — CID 61459996

IUPAC5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCn3cccn3)cc2c1
InChIInChI=1S/C14H14N4O2/c15-11-2-3-12-10(8-11)9-13(20-12)14(19)16-5-7-18-6-1-4-17-18/h1-4,6,8-9H,5,7,15H2,(H,16,19)
InChIKeyKGTXUOYSJOVHJF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds4

About 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide

5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 61459996) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID61459996
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCCn3cccn3)cc2c1
InChIInChI=1S/C14H14N4O2/c15-11-2-3-12-10(8-11)9-13(20-12)14(19)16-5-7-18-6-1-4-17-18/h1-4,6,8-9H,5,7,15H2,(H,16,19)
InChIKeyKGTXUOYSJOVHJF-UHFFFAOYSA-N
XLogP1.64
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115319732
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62243688
5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide (CID 61459996) is 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCCn3cccn3)cc2c1.
What is the InChIKey of 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KGTXUOYSJOVHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-11-2-3-12-10(8-11)9-13(20-12)14(19)16-5-7-18-6-1-4-17-18/h1-4,6,8-9H,5,7,15H2,(H,16,19).
What are the key properties of 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61459996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).