N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide

C13H11FN4OS — CID 81105063

IUPACN-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCn1ncc(N)c1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H11FN4OS/c1-18-12(9(15)6-16-18)17-13(19)11-4-7-2-3-8(14)5-10(7)20-11/h2-6H,15H2,1H3,(H,17,19)
InChIKeyVCGROZKNUJAHBC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.61
Rot. Bonds2

About N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide

N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 81105063) has the molecular formula C13H11FN4OS and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID81105063
Molecular FormulaC13H11FN4OS
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC NameN-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide
SMILESCn1ncc(N)c1NC(=O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C13H11FN4OS/c1-18-12(9(15)6-16-18)17-13(19)11-4-7-2-3-8(14)5-10(7)20-11/h2-6H,15H2,1H3,(H,17,19)
InChIKeyVCGROZKNUJAHBC-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81105328
N-(2-amino-4-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81115919
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoro-2-hydroxybenzamide
CID 115298387
N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 115319654
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoropyridine-3-carboxamide
CID 113452799
N-(5-bromopyrazin-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 80502021
N-(4-acetyl-1,3-thiazol-2-yl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 112723705
6-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-1-benzothiophene-2-carboxamide
CID 81104873
N-(2-bromophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 78910861
N-(4-chloro-2-pyridinyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 115627252
N-cyano-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104871
6-fluoro-N-(2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 29205600

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide (CID 81105063) is N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide is Cn1ncc(N)c1NC(=O)c1cc2ccc(F)cc2s1.
What is the InChIKey of N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is VCGROZKNUJAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS/c1-18-12(9(15)6-16-18)17-13(19)11-4-7-2-3-8(14)5-10(7)20-11/h2-6H,15H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide?
N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methylpyrazol-5-yl)-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 81105063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).