N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine

C20H15F6N5 — CID 154654412

IUPACN-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(=C)Cc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C20H15F6N5/c1-11(5-13-3-4-17(28-7-13)20(24,25)26)18-16(10-29-31-18)30-12(2)14-6-15(9-27-8-14)19(21,22)23/h3-4,6-10,30H,1-2,5H2,(H,29,31)
InChIKeyPSTWEWVRNBMVRY-UHFFFAOYSA-N
MW439.36 g/mol
LogP5.58
Rot. Bonds6

About N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine

N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine (PubChem CID 154654412) has the molecular formula C20H15F6N5 and a molecular weight of 439.36 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine
PubChem CID154654412
Molecular FormulaC20H15F6N5
Molecular Weight439.36 g/mol
Exact Mass439.12
IUPAC NameN-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine
SMILESC=C(Nc1cn[nH]c1C(=C)Cc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C20H15F6N5/c1-11(5-13-3-4-17(28-7-13)20(24,25)26)18-16(10-29-31-18)30-12(2)14-6-15(9-27-8-14)19(21,22)23/h3-4,6-10,30H,1-2,5H2,(H,29,31)
InChIKeyPSTWEWVRNBMVRY-UHFFFAOYSA-N
XLogP5.58
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine (CID 154654412) is N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine is C=C(Nc1cn[nH]c1C(=C)Cc1ccc(C(F)(F)F)nc1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine?
The InChIKey is PSTWEWVRNBMVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N5/c1-11(5-13-3-4-17(28-7-13)20(24,25)26)18-16(10-29-31-18)30-12(2)14-6-15(9-27-8-14)19(21,22)23/h3-4,6-10,30H,1-2,5H2,(H,29,31).
What are the key properties of N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine?
N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine has a molecular weight of 439.36 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-3-pyridinyl]ethenyl]-5-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-1-en-2-yl]-1H-pyrazol-4-amine is sourced from PubChem (CID 154654412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).