2-(thiophen-2-ylmethyl)pyrazol-3-amine

C8H9N3S — CID 2517659

IUPAC2-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccs1
InChIInChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKeyKFEVMOCBDLBBKX-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.58
Rot. Bonds2

About 2-(thiophen-2-ylmethyl)pyrazol-3-amine

2-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 2517659) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID2517659
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name2-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESNc1ccnn1Cc1cccs1
InChIInChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKeyKFEVMOCBDLBBKX-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 2517659) is 2-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(thiophen-2-ylmethyl)pyrazol-3-amine is Nc1ccnn1Cc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is KFEVMOCBDLBBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2.
What are the key properties of 2-(thiophen-2-ylmethyl)pyrazol-3-amine?
2-(thiophen-2-ylmethyl)pyrazol-3-amine has a molecular weight of 179.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 2517659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).