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

C14H10F3N3S — CID 62501709

IUPAC4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccs1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)9-5-3-8(4-6-9)12-11(13(18)20-19-12)10-2-1-7-21-10/h1-7H,(H3,18,19,20)
InChIKeyBECDXWPQRLYIPX-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.41
Rot. Bonds2

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

4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 62501709) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID62501709
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccs1
InChIInChI=1S/C14H10F3N3S/c15-14(16,17)9-5-3-8(4-6-9)12-11(13(18)20-19-12)10-2-1-7-21-10/h1-7H,(H3,18,19,20)
InChIKeyBECDXWPQRLYIPX-UHFFFAOYSA-N
XLogP4.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-chloro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 81322945
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
5-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62920733
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 61496475
5-(2,5-dimethylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 55079031
5-(2-fluoro-5-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62516545
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
5-(2-chloro-4-methylphenyl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 106861439
4-[1-(4-methylphenyl)tetrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 135889222
3-amino-4-thiophen-2-yl-1H-pyrazole-5-carboxylic acid
CID 82470643
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
CID 10880955

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 62501709) is 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(C(F)(F)F)cc2)c1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is BECDXWPQRLYIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c15-14(16,17)9-5-3-8(4-6-9)12-11(13(18)20-19-12)10-2-1-7-21-10/h1-7H,(H3,18,19,20).
What are the key properties of 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 309.32 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 62501709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).