[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

C16H17N3S — CID 82072992

IUPAC[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESCc1ccc(C)c(-n2nc(CN)cc2-c2cccs2)c1
InChIInChI=1S/C16H17N3S/c1-11-5-6-12(2)14(8-11)19-15(9-13(10-17)18-19)16-4-3-7-20-16/h3-9H,10,17H2,1-2H3
InChIKeyVBNGYDBPWCHLJY-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.68
Rot. Bonds3

About [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine

[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (PubChem CID 82072992) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
PubChem CID82072992
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
SMILESCc1ccc(C)c(-n2nc(CN)cc2-c2cccs2)c1
InChIInChI=1S/C16H17N3S/c1-11-5-6-12(2)14(8-11)19-15(9-13(10-17)18-19)16-4-3-7-20-16/h3-9H,10,17H2,1-2H3
InChIKeyVBNGYDBPWCHLJY-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
[1-(4-methoxyphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072981
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
[1-(2-methoxy-5-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanamine
CID 82200714
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
CID 82470463
1-[3-(1-tert-butyl-5-thiophen-2-ylpyrazol-3-yl)propyl]-4-(2,4-dimethylphenyl)piperazine
CID 68557089
(2,6-dimethylmorpholin-4-yl)-[1-(2,5-dimethylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 42761915
2-(2,4-dimethylphenyl)thiophene
CID 12781163
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906358
(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanamine
CID 90009339

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The IUPAC name of [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine (CID 82072992) is [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is Cc1ccc(C)c(-n2nc(CN)cc2-c2cccs2)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
The InChIKey is VBNGYDBPWCHLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-5-6-12(2)14(8-11)19-15(9-13(10-17)18-19)16-4-3-7-20-16/h3-9H,10,17H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine?
[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine has a molecular weight of 283.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82072992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).