3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine

C19H17F6N3O — CID 144543027

IUPAC3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine
SMILESNC1C=C(c2cccc(COC(C(F)(F)F)C(F)(F)F)c2)N(c2ccccc2)N1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)17(19(23,24)25)29-11-12-5-4-6-13(9-12)15-10-16(26)27-28(15)14-7-2-1-3-8-14/h1-10,16-17,27H,11,26H2
InChIKeyFAIWJQIAKRBSPX-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.35
Rot. Bonds5

About 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine

3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine (PubChem CID 144543027) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine
PubChem CID144543027
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC Name3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine
SMILESNC1C=C(c2cccc(COC(C(F)(F)F)C(F)(F)F)c2)N(c2ccccc2)N1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)17(19(23,24)25)29-11-12-5-4-6-13(9-12)15-10-16(26)27-28(15)14-7-2-1-3-8-14/h1-10,16-17,27H,11,26H2
InChIKeyFAIWJQIAKRBSPX-UHFFFAOYSA-N
XLogP4.35
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine?
The IUPAC name of 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine (CID 144543027) is 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine.
What is the SMILES notation for 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine?
The canonical SMILES for 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine is NC1C=C(c2cccc(COC(C(F)(F)F)C(F)(F)F)c2)N(c2ccccc2)N1.
What is the InChIKey of 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine?
The InChIKey is FAIWJQIAKRBSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)17(19(23,24)25)29-11-12-5-4-6-13(9-12)15-10-16(26)27-28(15)14-7-2-1-3-8-14/h1-10,16-17,27H,11,26H2.
What are the key properties of 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine?
3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine has a molecular weight of 417.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)phenyl]-2-phenyl-1,5-dihydropyrazol-5-amine is sourced from PubChem (CID 144543027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).