3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine

C8H6F3N3S — CID 155896415

IUPAC3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESNc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4/h1-3H,12H2,(H,13,14)
InChIKeyCBVRXROJEZYFTK-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.74
Rot. Bonds1

About 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine

3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine (PubChem CID 155896415) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
PubChem CID155896415
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine
SMILESNc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F3N3S/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4/h1-3H,12H2,(H,13,14)
InChIKeyCBVRXROJEZYFTK-UHFFFAOYSA-N
XLogP2.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine (CID 155896415) is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine is Nc1c(-c2cccs2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
The InChIKey is CBVRXROJEZYFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4/h1-3H,12H2,(H,13,14).
What are the key properties of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine?
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine has a molecular weight of 233.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 155896415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).