(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol

C16H15Cl2FN2O — CID 146291610

IUPAC(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
SMILESOC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5-
InChIKeyVHFLANRKCQMAHQ-ACAGNQJTSA-N
MW341.21 g/mol
LogP3.90
Rot. Bonds3

About (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol

(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol (PubChem CID 146291610) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
PubChem CID146291610
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol
SMILESOC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F
InChIInChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5-
InChIKeyVHFLANRKCQMAHQ-ACAGNQJTSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(2,4-Dichlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3840469
3-(2,4-Dichloro-5-fluorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-4-methanol
CID 3802045
3-(2,4-Dichlorophenyl)-1-(2-methylphenyl)-1H-pyrazole-4-methanol
CID 3708231
(3-(2,4-Dichloro-5-fluorophenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 3767686
(1-(3-Chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)-1H-pyrazol-4-YL)methanol
CID 3858179
(3-(2,4-Dichloro-5-fluorophenyl)-1-(2-methylphenyl)-1H-pyrazol-4-YL)methanol
CID 3864674
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
CID 11516912
3-[1-[(2,4-Dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]prop-2-en-1-ol
CID 66887451
5-(2,4-Dichlorophenyl)-4-ethyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 70791399
5-(2,4-Dichlorophenyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 89603480
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-4H-pyrano[3,4-d]pyrazol-7-ylidene]-2-fluoroethanol
CID 146291506
(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol
CID 146291516

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The IUPAC name of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol (CID 146291610) is (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol.
What is the SMILES notation for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The canonical SMILES for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol is OC/C=C1\c2c(cnn2Cc2ccc(Cl)cc2Cl)CCC1F.
What is the InChIKey of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
The InChIKey is VHFLANRKCQMAHQ-ACAGNQJTSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c17-12-3-1-11(14(18)7-12)9-21-16-10(8-20-21)2-4-15(19)13(16)5-6-22/h1,3,5,7-8,15,22H,2,4,6,9H2/b13-5-.
What are the key properties of (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol?
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol has a molecular weight of 341.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]ethanol is sourced from PubChem (CID 146291610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).