(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine

C24H20F3N3 — CID 70952330

IUPAC(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
SMILESC/C=C(\NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C24H20F3N3/c1-2-22(28-15-17-8-6-9-18(14-17)24(25,26)27)20-12-7-13-23-21(20)16-29-30(23)19-10-4-3-5-11-19/h2-14,16,28H,15H2,1H3/b22-2-
InChIKeyCFUZLNSOZIPXKR-KJDXXRKVSA-N
MW407.44 g/mol
LogP6.19
Rot. Bonds5

About (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine

(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine (PubChem CID 70952330) has the molecular formula C24H20F3N3 and a molecular weight of 407.44 g/mol. Its IUPAC name is (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
PubChem CID70952330
Molecular FormulaC24H20F3N3
Molecular Weight407.44 g/mol
Exact Mass407.16
IUPAC Name(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
SMILESC/C=C(\NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1
InChIInChI=1S/C24H20F3N3/c1-2-22(28-15-17-8-6-9-18(14-17)24(25,26)27)20-12-7-13-23-21(20)16-29-30(23)19-10-4-3-5-11-19/h2-14,16,28H,15H2,1H3/b22-2-
InChIKeyCFUZLNSOZIPXKR-KJDXXRKVSA-N
XLogP6.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine?
The IUPAC name of (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine (CID 70952330) is (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine is C/C=C(\NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccccc1.
What is the InChIKey of (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine?
The InChIKey is CFUZLNSOZIPXKR-KJDXXRKVSA-N. The full InChI is InChI=1S/C24H20F3N3/c1-2-22(28-15-17-8-6-9-18(14-17)24(25,26)27)20-12-7-13-23-21(20)16-29-30(23)19-10-4-3-5-11-19/h2-14,16,28H,15H2,1H3/b22-2-.
What are the key properties of (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine?
(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine has a molecular weight of 407.44 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine is sourced from PubChem (CID 70952330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).