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

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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).