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

C17H13ClF3N3 — CID 24849421

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3N3/c18-13-8-6-12(7-9-13)16(17(19,20)21)22-15-10-14(23-24-15)11-4-2-1-3-5-11/h1-10,16H,(H2,22,23,24)
InChIKeyKXHNRUOIBGZCAT-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.45
Rot. Bonds4

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

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine (PubChem CID 24849421) has the molecular formula C17H13ClF3N3 and a molecular weight of 351.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine
PubChem CID24849421
Molecular FormulaC17H13ClF3N3
Molecular Weight351.76 g/mol
Exact Mass351.08
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine
SMILESFC(F)(F)C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClF3N3/c18-13-8-6-12(7-9-13)16(17(19,20)21)22-15-10-14(23-24-15)11-4-2-1-3-5-11/h1-10,16H,(H2,22,23,24)
InChIKeyKXHNRUOIBGZCAT-UHFFFAOYSA-N
XLogP5.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine (CID 24849421) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine is FC(F)(F)C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine?
The InChIKey is KXHNRUOIBGZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3/c18-13-8-6-12(7-9-13)16(17(19,20)21)22-15-10-14(23-24-15)11-4-2-1-3-5-11/h1-10,16H,(H2,22,23,24).
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine has a molecular weight of 351.76 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 24849421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).