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

C15H11ClF3N3O — CID 24849424

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O/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)
InChIKeyDPDDKBNJGMTIRE-UHFFFAOYSA-N
MW341.72 g/mol
LogP5.04
Rot. Bonds4

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

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 24849424) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID24849424
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClF3N3O/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)
InChIKeyDPDDKBNJGMTIRE-UHFFFAOYSA-N
XLogP5.04
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.72
LogP ≤ 55.04
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-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 24849424) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is FC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is DPDDKBNJGMTIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/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-(furan-2-yl)-1H-pyrazol-3-amine?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 341.72 g/mol, XLogP of 5.04, 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-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 24849424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).