4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine

C8H8BrN3S — CID 61176754

IUPAC4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESNc1nn(Cc2cccs2)cc1Br
InChIInChI=1S/C8H8BrN3S/c9-7-5-12(11-8(7)10)4-6-2-1-3-13-6/h1-3,5H,4H2,(H2,10,11)
InChIKeyQRAZFPGVQHTHNC-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.34
Rot. Bonds2

About 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine

4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 61176754) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID61176754
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESNc1nn(Cc2cccs2)cc1Br
InChIInChI=1S/C8H8BrN3S/c9-7-5-12(11-8(7)10)4-6-2-1-3-13-6/h1-3,5H,4H2,(H2,10,11)
InChIKeyQRAZFPGVQHTHNC-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 61176754) is 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine is Nc1nn(Cc2cccs2)cc1Br.
What is the InChIKey of 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is QRAZFPGVQHTHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c9-7-5-12(11-8(7)10)4-6-2-1-3-13-6/h1-3,5H,4H2,(H2,10,11).
What are the key properties of 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine?
4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine has a molecular weight of 258.14 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(thiophen-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 61176754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).