5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C21H23FN4O — CID 18445678

IUPAC5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN(C)CCCOc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C21H23FN4O/c1-26(2)11-4-12-27-19-6-3-5-16-17(19)13-18-20(16)24-25-21(18)23-15-9-7-14(22)8-10-15/h3,5-10H,4,11-13H2,1-2H3,(H2,23,24,25)
InChIKeyVNMDXKSCLCAFCC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.19
Rot. Bonds7

About 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445678) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445678
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN(C)CCCOc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C21H23FN4O/c1-26(2)11-4-12-27-19-6-3-5-16-17(19)13-18-20(16)24-25-21(18)23-15-9-7-14(22)8-10-15/h3,5-10H,4,11-13H2,1-2H3,(H2,23,24,25)
InChIKeyVNMDXKSCLCAFCC-UHFFFAOYSA-N
XLogP4.19
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445678) is 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is CN(C)CCCOc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2.
What is the InChIKey of 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is VNMDXKSCLCAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-26(2)11-4-12-27-19-6-3-5-16-17(19)13-18-20(16)24-25-21(18)23-15-9-7-14(22)8-10-15/h3,5-10H,4,11-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 366.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propoxy]-N-(4-fluorophenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).