6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C22H23F3N4O2 — CID 18445708

IUPAC6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN(C)CCCOc1ccc2c(c1)Cc1c(Nc3ccc(OC(F)(F)F)cc3)n[nH]c1-2
InChIInChI=1S/C22H23F3N4O2/c1-29(2)10-3-11-30-17-8-9-18-14(12-17)13-19-20(18)27-28-21(19)26-15-4-6-16(7-5-15)31-22(23,24)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,26,27,28)
InChIKeyBYHAXOMQRRRWAY-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.95
Rot. Bonds8

About 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445708) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445708
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN(C)CCCOc1ccc2c(c1)Cc1c(Nc3ccc(OC(F)(F)F)cc3)n[nH]c1-2
InChIInChI=1S/C22H23F3N4O2/c1-29(2)10-3-11-30-17-8-9-18-14(12-17)13-19-20(18)27-28-21(19)26-15-4-6-16(7-5-15)31-22(23,24)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,26,27,28)
InChIKeyBYHAXOMQRRRWAY-UHFFFAOYSA-N
XLogP4.95
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445708) is 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is CN(C)CCCOc1ccc2c(c1)Cc1c(Nc3ccc(OC(F)(F)F)cc3)n[nH]c1-2.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is BYHAXOMQRRRWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-29(2)10-3-11-30-17-8-9-18-14(12-17)13-19-20(18)27-28-21(19)26-15-4-6-16(7-5-15)31-22(23,24)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,26,27,28).
What are the key properties of 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 432.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]-N-[4-(trifluoromethoxy)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).