2-(1-thiophen-2-ylethyl)pyrazol-3-amine

C9H11N3S — CID 3154158

IUPAC2-(1-thiophen-2-ylethyl)pyrazol-3-amine
SMILESCC(c1cccs1)n1nccc1N
InChIInChI=1S/C9H11N3S/c1-7(8-3-2-6-13-8)12-9(10)4-5-11-12/h2-7H,10H2,1H3
InChIKeyCPVPMUSLZDTBPE-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.14
Rot. Bonds2

About 2-(1-thiophen-2-ylethyl)pyrazol-3-amine

2-(1-thiophen-2-ylethyl)pyrazol-3-amine (PubChem CID 3154158) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethyl)pyrazol-3-amine
PubChem CID3154158
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-(1-thiophen-2-ylethyl)pyrazol-3-amine
SMILESCC(c1cccs1)n1nccc1N
InChIInChI=1S/C9H11N3S/c1-7(8-3-2-6-13-8)12-9(10)4-5-11-12/h2-7H,10H2,1H3
InChIKeyCPVPMUSLZDTBPE-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethyl)pyrazol-3-amine?
The IUPAC name of 2-(1-thiophen-2-ylethyl)pyrazol-3-amine (CID 3154158) is 2-(1-thiophen-2-ylethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-thiophen-2-ylethyl)pyrazol-3-amine?
The canonical SMILES for 2-(1-thiophen-2-ylethyl)pyrazol-3-amine is CC(c1cccs1)n1nccc1N.
What is the InChIKey of 2-(1-thiophen-2-ylethyl)pyrazol-3-amine?
The InChIKey is CPVPMUSLZDTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7(8-3-2-6-13-8)12-9(10)4-5-11-12/h2-7H,10H2,1H3.
What are the key properties of 2-(1-thiophen-2-ylethyl)pyrazol-3-amine?
2-(1-thiophen-2-ylethyl)pyrazol-3-amine has a molecular weight of 193.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 3154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).