N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide

C14H13FN4OS — CID 115319654

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1cnn(CCNC(=O)c2cc3ccc(F)cc3s2)c1
InChIInChI=1S/C14H13FN4OS/c15-10-2-1-9-5-13(21-12(9)6-10)14(20)17-3-4-19-8-11(16)7-18-19/h1-2,5-8H,3-4,16H2,(H,17,20)
InChIKeyXZXICOBWVIGTEB-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.25
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 115319654) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID115319654
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
SMILESNc1cnn(CCNC(=O)c2cc3ccc(F)cc3s2)c1
InChIInChI=1S/C14H13FN4OS/c15-10-2-1-9-5-13(21-12(9)6-10)14(20)17-3-4-19-8-11(16)7-18-19/h1-2,5-8H,3-4,16H2,(H,17,20)
InChIKeyXZXICOBWVIGTEB-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide (CID 115319654) is N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide is Nc1cnn(CCNC(=O)c2cc3ccc(F)cc3s2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is XZXICOBWVIGTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c15-10-2-1-9-5-13(21-12(9)6-10)14(20)17-3-4-19-8-11(16)7-18-19/h1-2,5-8H,3-4,16H2,(H,17,20).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 115319654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).