N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C20H15F6N3O2 — CID 18445548

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c1C2
InChIInChI=1S/C20H15F6N3O2/c1-30-15-4-9-3-14-17(13(9)8-16(15)31-2)28-29-18(14)27-12-6-10(19(21,22)23)5-11(7-12)20(24,25)26/h4-8H,3H2,1-2H3,(H2,27,28,29)
InChIKeyGMWXTHISJFMGJY-UHFFFAOYSA-N
MW443.35 g/mol
LogP5.78
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445548) has the molecular formula C20H15F6N3O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445548
Molecular FormulaC20H15F6N3O2
Molecular Weight443.35 g/mol
Exact Mass443.11
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c1C2
InChIInChI=1S/C20H15F6N3O2/c1-30-15-4-9-3-14-17(13(9)8-16(15)31-2)28-29-18(14)27-12-6-10(19(21,22)23)5-11(7-12)20(24,25)26/h4-8H,3H2,1-2H3,(H2,27,28,29)
InChIKeyGMWXTHISJFMGJY-UHFFFAOYSA-N
XLogP5.78
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.35
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
N-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 11496227
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445754
N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11682291
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445506
N-(3,5-dimethoxyphenyl)-6-fluoro-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445556
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
CID 143051410
N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445835
1-N-(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-4-methyl-3-N-(4-pyridin-2-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 58824831
N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445658

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445548) is N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c1C2.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is GMWXTHISJFMGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O2/c1-30-15-4-9-3-14-17(13(9)8-16(15)31-2)28-29-18(14)27-12-6-10(19(21,22)23)5-11(7-12)20(24,25)26/h4-8H,3H2,1-2H3,(H2,27,28,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 443.35 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).