3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

C16H17N3OS — CID 62504567

IUPAC3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C16H17N3OS/c1-10-6-7-12(20-3)11(9-10)15-14(13-5-4-8-21-13)16(17)19(2)18-15/h4-9H,17H2,1-3H3
InChIKeyXQVAHLQUSYTMTM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.71
Rot. Bonds3

About 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine

3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (PubChem CID 62504567) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
PubChem CID62504567
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
SMILESCOc1ccc(C)cc1-c1nn(C)c(N)c1-c1cccs1
InChIInChI=1S/C16H17N3OS/c1-10-6-7-12(20-3)11(9-10)15-14(13-5-4-8-21-13)16(17)19(2)18-15/h4-9H,17H2,1-3H3
InChIKeyXQVAHLQUSYTMTM-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62500518
3-(2-ethoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62501713
3-(2,5-dibromothiophen-3-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 107962694
1-methyl-4-thiophen-2-yl-3-thiophen-3-ylpyrazol-5-amine
CID 62501208
3-(5-bromothiophen-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 55079033
1,4-dimethyl-3-thiophen-2-ylpyrazol-5-amine
CID 4737047
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62503065
3-(5-chloro-2-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500702
3-(1-cyclopropylethyl)-4-(2-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 83149949
4-(4-bromophenyl)-1-methyl-3-thiophen-2-ylpyrazol-5-amine
CID 43336416
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine (CID 62504567) is 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is COc1ccc(C)cc1-c1nn(C)c(N)c1-c1cccs1.
What is the InChIKey of 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
The InChIKey is XQVAHLQUSYTMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-6-7-12(20-3)11(9-10)15-14(13-5-4-8-21-13)16(17)19(2)18-15/h4-9H,17H2,1-3H3.
What are the key properties of 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine?
3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 62504567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).