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

C15H10ClF4N3S — CID 24849419

IUPACN-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFc1cc(Cl)cc(C(Nc2cc(-c3cccs3)[nH]n2)C(F)(F)F)c1
InChIInChI=1S/C15H10ClF4N3S/c16-9-4-8(5-10(17)6-9)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-3-24-12/h1-7,14H,(H2,21,22,23)
InChIKeyLPGBQUPJCOUXCU-UHFFFAOYSA-N
MW375.78 g/mol
LogP5.65
Rot. Bonds4

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

N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 24849419) has the molecular formula C15H10ClF4N3S and a molecular weight of 375.78 g/mol. Its IUPAC name is N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID24849419
Molecular FormulaC15H10ClF4N3S
Molecular Weight375.78 g/mol
Exact Mass375.02
IUPAC NameN-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine
SMILESFc1cc(Cl)cc(C(Nc2cc(-c3cccs3)[nH]n2)C(F)(F)F)c1
InChIInChI=1S/C15H10ClF4N3S/c16-9-4-8(5-10(17)6-9)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-3-24-12/h1-7,14H,(H2,21,22,23)
InChIKeyLPGBQUPJCOUXCU-UHFFFAOYSA-N
XLogP5.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine (CID 24849419) is N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is Fc1cc(Cl)cc(C(Nc2cc(-c3cccs3)[nH]n2)C(F)(F)F)c1.
What is the InChIKey of N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is LPGBQUPJCOUXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4N3S/c16-9-4-8(5-10(17)6-9)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-3-24-12/h1-7,14H,(H2,21,22,23).
What are the key properties of N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine?
N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 375.78 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-5-fluorophenyl)-2,2,2-trifluoroethyl]-5-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 24849419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).