2-(4-methylpyrazol-1-yl)thiophen-3-amine

C8H9N3S — CID 68784506

IUPAC2-(4-methylpyrazol-1-yl)thiophen-3-amine
SMILESCc1cnn(-c2sccc2N)c1
InChIInChI=1S/C8H9N3S/c1-6-4-10-11(5-6)8-7(9)2-3-12-8/h2-5H,9H2,1H3
InChIKeyLMJCXDGJXFLVQX-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.82
Rot. Bonds1

About 2-(4-methylpyrazol-1-yl)thiophen-3-amine

2-(4-methylpyrazol-1-yl)thiophen-3-amine (PubChem CID 68784506) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)thiophen-3-amine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)thiophen-3-amine
PubChem CID68784506
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-(4-methylpyrazol-1-yl)thiophen-3-amine
SMILESCc1cnn(-c2sccc2N)c1
InChIInChI=1S/C8H9N3S/c1-6-4-10-11(5-6)8-7(9)2-3-12-8/h2-5H,9H2,1H3
InChIKeyLMJCXDGJXFLVQX-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
4-Methyl-1-thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 91321982
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
5-Ethyl-2-pyrazol-1-ylthiophen-3-amine
CID 10965371
4-(Chloromethyl)-1-thiophen-2-ylpyrazole
CID 59759400
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
1-(4-Methylthiophen-3-yl)pyrazole
CID 68587491
2-(1H-pyrazol-1-yl)thiophen-3-amine
CID 68781723
4-methyl-1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 68787041
1-(3-Methylthiophen-2-yl)pyrazole
CID 69827317
1-(5-Iodothiophen-2-yl)-4-methylpyrazole
CID 70864848

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)thiophen-3-amine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)thiophen-3-amine (CID 68784506) is 2-(4-methylpyrazol-1-yl)thiophen-3-amine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)thiophen-3-amine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)thiophen-3-amine is Cc1cnn(-c2sccc2N)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)thiophen-3-amine?
The InChIKey is LMJCXDGJXFLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-6-4-10-11(5-6)8-7(9)2-3-12-8/h2-5H,9H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)thiophen-3-amine?
2-(4-methylpyrazol-1-yl)thiophen-3-amine has a molecular weight of 179.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)thiophen-3-amine is sourced from PubChem (CID 68784506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).