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

C13H12FN3S — CID 103135081

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C13H12FN3S/c1-17-5-4-10(16-17)13(15)12-6-8-2-3-9(14)7-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyUKIQRZKWUNMCFQ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.82
Rot. Bonds2

About (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine

(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103135081) has the molecular formula C13H12FN3S and a molecular weight of 261.33 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103135081
Molecular FormulaC13H12FN3S
Molecular Weight261.33 g/mol
Exact Mass261.07
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2cc3ccc(F)cc3s2)n1
InChIInChI=1S/C13H12FN3S/c1-17-5-4-10(16-17)13(15)12-6-8-2-3-9(14)7-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyUKIQRZKWUNMCFQ-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 ≤ 500261.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006430
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine (CID 103135081) is (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2cc3ccc(F)cc3s2)n1.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is UKIQRZKWUNMCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-17-5-4-10(16-17)13(15)12-6-8-2-3-9(14)7-11(8)18-12/h2-7,13H,15H2,1H3.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine?
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 261.33 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 (6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103135081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).