(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine

C13H12FN3S — CID 105148552

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H12FN3S/c1-17-10(4-5-16-17)13(15)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyVSVYIMNGGXTKCF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.82
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine

(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 105148552) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID105148552
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc2cc(F)ccc2s1
InChIInChI=1S/C13H12FN3S/c1-17-10(4-5-16-17)13(15)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyVSVYIMNGGXTKCF-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
CID 105083659
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
1-(5-fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105158758
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine (CID 105148552) is (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1cc2cc(F)ccc2s1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is VSVYIMNGGXTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-17-10(4-5-16-17)13(15)12-7-8-6-9(14)2-3-11(8)18-12/h2-7,13H,15H2,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine?
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 261.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105148552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).