(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol

C19H15Cl2F3N2O — CID 69401696

IUPAC(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol
SMILESOCC/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15Cl2F3N2O/c20-14-6-4-12(16(21)10-14)11-26-18-9-13(19(22,23)24)5-7-15(18)17(25-26)3-1-2-8-27/h1,3-7,9-10,27H,2,8,11H2/b3-1+
InChIKeyGOAZUYBBHQGQCZ-HNQUOIGGSA-N
MW415.24 g/mol
LogP5.81
Rot. Bonds5

About (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol

(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol (PubChem CID 69401696) has the molecular formula C19H15Cl2F3N2O and a molecular weight of 415.24 g/mol. Its IUPAC name is (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol
PubChem CID69401696
Molecular FormulaC19H15Cl2F3N2O
Molecular Weight415.24 g/mol
Exact Mass414.05
IUPAC Name(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol
SMILESOCC/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H15Cl2F3N2O/c20-14-6-4-12(16(21)10-14)11-26-18-9-13(19(22,23)24)5-7-15(18)17(25-26)3-1-2-8-27/h1,3-7,9-10,27H,2,8,11H2/b3-1+
InChIKeyGOAZUYBBHQGQCZ-HNQUOIGGSA-N
XLogP5.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.24
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
CID 66887451
(E)-3-[1-[(4-chloro-2-methylphenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
CID 69404529
3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-enoyloxymethyl 2,2-dimethylpropanoate
CID 69403241
2-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]acetic acid
CID 11711124
(E)-3-[1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethoxy)indazol-3-yl]prop-2-en-1-ol
CID 69401996
1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)-3-[(E)-prop-1-enyl]indazole
CID 143191943
(E)-3-[1-[(2,4-difluorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-enoic acid
CID 11523788
methyl (Z)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methylindazol-3-yl]prop-2-enoate
CID 58182915
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-methoxyindazol-3-yl]prop-2-enoic acid
CID 11682309
methyl (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]prop-2-enoate
CID 11661519
1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
CID 66889166
1-[(2,4-difluorophenyl)methyl]-3-[(E)-2-(2H-tetrazol-5-yl)ethenyl]-6-(trifluoromethyl)indazole
CID 68909975

Frequently Asked Questions

What is the IUPAC name of (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol?
The IUPAC name of (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol (CID 69401696) is (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol.
What is the SMILES notation for (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol?
The canonical SMILES for (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol is OCC/C=C/c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol?
The InChIKey is GOAZUYBBHQGQCZ-HNQUOIGGSA-N. The full InChI is InChI=1S/C19H15Cl2F3N2O/c20-14-6-4-12(16(21)10-14)11-26-18-9-13(19(22,23)24)5-7-15(18)17(25-26)3-1-2-8-27/h1,3-7,9-10,27H,2,8,11H2/b3-1+.
What are the key properties of (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol?
(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol has a molecular weight of 415.24 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol is sourced from PubChem (CID 69401696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).