1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine

C20H20FN3O2 — CID 143051432

IUPAC1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
SMILESCCn1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2
InChIInChI=1S/C20H20FN3O2/c1-4-24-19-15-11-18(26-3)17(25-2)9-12(15)8-16(19)20(23-24)22-14-7-5-6-13(21)10-14/h5-7,9-11H,4,8H2,1-3H3,(H,22,23)
InChIKeySABMUKRWGMXINQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.37
Rot. Bonds5

About 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine

1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine (PubChem CID 143051432) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
PubChem CID143051432
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
SMILESCCn1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2
InChIInChI=1S/C20H20FN3O2/c1-4-24-19-15-11-18(26-3)17(25-2)9-12(15)8-16(19)20(23-24)22-14-7-5-6-13(21)10-14/h5-7,9-11H,4,8H2,1-3H3,(H,22,23)
InChIKeySABMUKRWGMXINQ-UHFFFAOYSA-N
XLogP4.37
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol
CID 18445458
1-diethoxyphosphoryl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 58824856
[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
3-(3-fluoroanilino)-N-[2-(2-hydroxyethylamino)ethyl]-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-1-carboxamide
CID 58824948
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
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
[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
6-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 18445704
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445751

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine (CID 143051432) is 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine is CCn1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2.
What is the InChIKey of 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine?
The InChIKey is SABMUKRWGMXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-4-24-19-15-11-18(26-3)17(25-2)9-12(15)8-16(19)20(23-24)22-14-7-5-6-13(21)10-14/h5-7,9-11H,4,8H2,1-3H3,(H,22,23).
What are the key properties of 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine?
1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine has a molecular weight of 353.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 143051432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).