2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol

C20H20FN3O3 — CID 18445458

IUPAC2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol
SMILESCOc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1CCO)C2
InChIInChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)24(6-7-25)23-20(16)22-14-5-3-4-13(21)10-14/h3-5,9-11,25H,6-8H2,1-2H3,(H,22,23)
InChIKeyOGAKFQSTNWQCNF-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.35
Rot. Bonds6

About 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol

2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol (PubChem CID 18445458) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol
PubChem CID18445458
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol
SMILESCOc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1CCO)C2
InChIInChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)24(6-7-25)23-20(16)22-14-5-3-4-13(21)10-14/h3-5,9-11,25H,6-8H2,1-2H3,(H,22,23)
InChIKeyOGAKFQSTNWQCNF-UHFFFAOYSA-N
XLogP3.35
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 143051432
3-(3-fluoroanilino)-N-[2-(2-hydroxyethylamino)ethyl]-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-1-carboxamide
CID 58824948
[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 10366745
[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-(2-fluorophenyl)methanone
CID 18445514
1-diethoxyphosphoryl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 58824856
methane;methyl N-[2-[2-[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]ethoxy]ethoxy]ethyl]carbamate;methyl N-[2-[2-[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethoxy]ethoxy]ethyl]carbamate
CID 159178289
1-[2-[2-[2-[2-(cyclobutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3-fluorophenyl)-7-methoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 163908904
[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]methyl 2,2-dimethylpropanoate;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 157423118
3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide
CID 162662452
methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
CID 162675783
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol (CID 18445458) is 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol is COc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1CCO)C2.
What is the InChIKey of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol?
The InChIKey is OGAKFQSTNWQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-26-17-9-12-8-16-19(15(12)11-18(17)27-2)24(6-7-25)23-20(16)22-14-5-3-4-13(21)10-14/h3-5,9-11,25H,6-8H2,1-2H3,(H,22,23).
What are the key properties of 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol?
2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol has a molecular weight of 369.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 18445458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).