[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

C15H15N3OS — CID 82072981

IUPAC[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-19-13-6-4-12(5-7-13)18-14(9-11(10-16)17-18)15-3-2-8-20-15/h2-9H,10,16H2,1H3
InChIKeyNGZUHKVGDJZDQJ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.07
Rot. Bonds4

About [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (PubChem CID 82072981) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
PubChem CID82072981
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-n2nc(CN)cc2-c2cccs2)cc1
InChIInChI=1S/C15H15N3OS/c1-19-13-6-4-12(5-7-13)18-14(9-11(10-16)17-18)15-3-2-8-20-15/h2-9H,10,16H2,1H3
InChIKeyNGZUHKVGDJZDQJ-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072992
[1-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylpyrazol-3-yl]methanol
CID 66709516
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
[6-(4-methoxyphenyl)-3-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196674
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
ethyl 1-(4-fluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 169498735
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
1-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole
CID 70375481

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (CID 82072981) is [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is COc1ccc(-n2nc(CN)cc2-c2cccs2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The InChIKey is NGZUHKVGDJZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-13-6-4-12(5-7-13)18-14(9-11(10-16)17-18)15-3-2-8-20-15/h2-9H,10,16H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine has a molecular weight of 285.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82072981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).