(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine

C19H15F6N5 — CID 145414734

IUPAC(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine
SMILESN/C(=C\Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H15F6N5/c20-18(21,22)16-9-17(19(23,24)25)30(29-16)14-7-5-13(6-8-14)28-10-15(27)11-1-3-12(26)4-2-11/h1-10,28H,26-27H2/b15-10-
InChIKeyFRWFDAWPOZSLBC-GDNBJRDFSA-N
MW427.35 g/mol
LogP4.86
Rot. Bonds4

About (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine

(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine (PubChem CID 145414734) has the molecular formula C19H15F6N5 and a molecular weight of 427.35 g/mol. Its IUPAC name is (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine
PubChem CID145414734
Molecular FormulaC19H15F6N5
Molecular Weight427.35 g/mol
Exact Mass427.12
IUPAC Name(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine
SMILESN/C(=C\Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H15F6N5/c20-18(21,22)16-9-17(19(23,24)25)30(29-16)14-7-5-13(6-8-14)28-10-15(27)11-1-3-12(26)4-2-11/h1-10,28H,26-27H2/b15-10-
InChIKeyFRWFDAWPOZSLBC-GDNBJRDFSA-N
XLogP4.86
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine?
The IUPAC name of (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine (CID 145414734) is (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine is N/C(=C\Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccc(N)cc1.
What is the InChIKey of (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine?
The InChIKey is FRWFDAWPOZSLBC-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H15F6N5/c20-18(21,22)16-9-17(19(23,24)25)30(29-16)14-7-5-13(6-8-14)28-10-15(27)11-1-3-12(26)4-2-11/h1-10,28H,26-27H2/b15-10-.
What are the key properties of (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine?
(Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine has a molecular weight of 427.35 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-aminophenyl)-N'-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]ethene-1,2-diamine is sourced from PubChem (CID 145414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).