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

C15H10Cl2F3N3O — CID 24849425

IUPACN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3N3O/c16-8-3-4-9(10(17)6-8)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-5-24-12/h1-7,14H,(H2,21,22,23)
InChIKeyCBHJCBFNSUGDIQ-UHFFFAOYSA-N
MW376.17 g/mol
LogP5.69
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 24849425) has the molecular formula C15H10Cl2F3N3O and a molecular weight of 376.17 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID24849425
Molecular FormulaC15H10Cl2F3N3O
Molecular Weight376.17 g/mol
Exact Mass375.02
IUPAC NameN-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2F3N3O/c16-8-3-4-9(10(17)6-8)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-5-24-12/h1-7,14H,(H2,21,22,23)
InChIKeyCBHJCBFNSUGDIQ-UHFFFAOYSA-N
XLogP5.69
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.17
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 24849425) is N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is FC(F)(F)C(Nc1cc(-c2ccco2)[nH]n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is CBHJCBFNSUGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O/c16-8-3-4-9(10(17)6-8)14(15(18,19)20)21-13-7-11(22-23-13)12-2-1-5-24-12/h1-7,14H,(H2,21,22,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine?
N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 376.17 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-2,2,2-trifluoroethyl]-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 24849425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).