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

C18H13Cl2F3N2O — CID 66887451

IUPAC3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
SMILESOCC=Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H13Cl2F3N2O/c19-13-5-3-11(15(20)9-13)10-25-17-8-12(18(21,22)23)4-6-14(17)16(24-25)2-1-7-26/h1-6,8-9,26H,7,10H2
InChIKeyUJKJXDMKGDODLJ-UHFFFAOYSA-N
MW401.22 g/mol
LogP5.42
Rot. Bonds4

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

3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol (PubChem CID 66887451) has the molecular formula C18H13Cl2F3N2O and a molecular weight of 401.22 g/mol. Its IUPAC name is 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
PubChem CID66887451
Molecular FormulaC18H13Cl2F3N2O
Molecular Weight401.22 g/mol
Exact Mass400.04
IUPAC Name3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
SMILESOCC=Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H13Cl2F3N2O/c19-13-5-3-11(15(20)9-13)10-25-17-8-12(18(21,22)23)4-6-14(17)16(24-25)2-1-7-26/h1-6,8-9,26H,7,10H2
InChIKeyUJKJXDMKGDODLJ-UHFFFAOYSA-N
XLogP5.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]but-3-en-1-ol
CID 69401696
(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 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?
The IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol (CID 66887451) is 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol.
What is the SMILES notation for 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?
The canonical SMILES for 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol is OCC=Cc1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?
The InChIKey is UJKJXDMKGDODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O/c19-13-5-3-11(15(20)9-13)10-25-17-8-12(18(21,22)23)4-6-14(17)16(24-25)2-1-7-26/h1-6,8-9,26H,7,10H2.
What are the key properties of 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol?
3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol has a molecular weight of 401.22 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol is sourced from PubChem (CID 66887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).