6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H16F3N3O2 — CID 11569396

IUPAC6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C(F)(F)F)c3)c1C2
InChIInChI=1S/C19H16F3N3O2/c1-26-15-7-10-6-14-17(13(10)9-16(15)27-2)24-25-18(14)23-12-5-3-4-11(8-12)19(20,21)22/h3-5,7-9H,6H2,1-2H3,(H2,23,24,25)
InChIKeyDBGIFKODXXMSAS-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.76
Rot. Bonds4

About 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 11569396) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID11569396
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C(F)(F)F)c3)c1C2
InChIInChI=1S/C19H16F3N3O2/c1-26-15-7-10-6-14-17(13(10)9-16(15)27-2)24-25-18(14)23-12-5-3-4-11(8-12)19(20,21)22/h3-5,7-9H,6H2,1-2H3,(H2,23,24,25)
InChIKeyDBGIFKODXXMSAS-UHFFFAOYSA-N
XLogP4.76
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 11569396) is 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C(F)(F)F)c3)c1C2.
What is the InChIKey of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is DBGIFKODXXMSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-26-15-7-10-6-14-17(13(10)9-16(15)27-2)24-25-18(14)23-12-5-3-4-11(8-12)19(20,21)22/h3-5,7-9H,6H2,1-2H3,(H2,23,24,25).
What are the key properties of 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 375.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 11569396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).