1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C14H15N3OS — CID 105047086

IUPAC1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C14H15N3OS/c1-17-14(10(18-2)8-16-17)13(15)12-7-9-5-3-4-6-11(9)19-12/h3-8,13H,15H2,1-2H3
InChIKeyKAIKXKBZGDQTKR-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.69
Rot. Bonds3

About 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine

1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 105047086) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID105047086
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)c1cc2ccccc2s1
InChIInChI=1S/C14H15N3OS/c1-17-14(10(18-2)8-16-17)13(15)12-7-9-5-3-4-6-11(9)19-12/h3-8,13H,15H2,1-2H3
InChIKeyKAIKXKBZGDQTKR-UHFFFAOYSA-N
XLogP2.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzothiophen-2-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105048223
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 105042604
1-benzothiophen-2-yl-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106682258
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanamine
CID 105186319
N-[1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054206
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
(4-methoxy-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659334
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 105047086) is 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is KAIKXKBZGDQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17-14(10(18-2)8-16-17)13(15)12-7-9-5-3-4-6-11(9)19-12/h3-8,13H,15H2,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 273.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105047086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).