N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

C15H11ClF3N3S — CID 24849293

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3S/c16-10-5-3-9(4-6-10)14(15(17,18)19)20-13-8-11(21-22-13)12-2-1-7-23-12/h1-8,14H,(H2,20,21,22)
InChIKeyGOLYFEWPOGAKRS-UHFFFAOYSA-N
MW357.79 g/mol
LogP5.51
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 24849293) has the molecular formula C15H11ClF3N3S and a molecular weight of 357.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID24849293
Molecular FormulaC15H11ClF3N3S
Molecular Weight357.79 g/mol
Exact Mass357.03
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3S/c16-10-5-3-9(4-6-10)14(15(17,18)19)20-13-8-11(21-22-13)12-2-1-7-23-12/h1-8,14H,(H2,20,21,22)
InChIKeyGOLYFEWPOGAKRS-UHFFFAOYSA-N
XLogP5.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.79
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 24849293) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is FC(F)(F)C(Nc1cc(-c2cccs2)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is GOLYFEWPOGAKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3S/c16-10-5-3-9(4-6-10)14(15(17,18)19)20-13-8-11(21-22-13)12-2-1-7-23-12/h1-8,14H,(H2,20,21,22).
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 357.79 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 24849293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).