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

C8H7ClF3N3S — CID 162666140

IUPAC3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCl.Nc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F3N3S.ClH/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4;/h1-3H,12H2,(H,13,14);1H
InChIKeyFISJFWZYDAOEQE-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.16
Rot. Bonds1

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

3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride (PubChem CID 162666140) has the molecular formula C8H7ClF3N3S and a molecular weight of 269.68 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
PubChem CID162666140
Molecular FormulaC8H7ClF3N3S
Molecular Weight269.68 g/mol
Exact Mass269.00
IUPAC Name3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride
SMILESCl.Nc1c(-c2cccs2)n[nH]c1C(F)(F)F
InChIInChI=1S/C8H6F3N3S.ClH/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4;/h1-3H,12H2,(H,13,14);1H
InChIKeyFISJFWZYDAOEQE-UHFFFAOYSA-N
XLogP3.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The IUPAC name of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride (CID 162666140) is 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride is Cl.Nc1c(-c2cccs2)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
The InChIKey is FISJFWZYDAOEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S.ClH/c9-8(10,11)7-5(12)6(13-14-7)4-2-1-3-15-4;/h1-3H,12H2,(H,13,14);1H.
What are the key properties of 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride?
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazol-4-amine;hydrochloride has a molecular weight of 269.68 g/mol, XLogP of 3.16, 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;hydrochloride is sourced from PubChem (CID 162666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).