5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine

C8H9N3S — CID 3815550

IUPAC5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyLTNSHOVGLDMJRU-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.03
Rot. Bonds1

About 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine

5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 3815550) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID3815550
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1cccs1
InChIInChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11)
InChIKeyLTNSHOVGLDMJRU-UHFFFAOYSA-N
XLogP2.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 3815550) is 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1cccs1.
What is the InChIKey of 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is LTNSHOVGLDMJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-7(8(9)11-10-5)6-3-2-4-12-6/h2-4H,1H3,(H3,9,10,11).
What are the key properties of 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 179.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 3815550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).