ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol

C25H24N2O3 — CID 142940471

IUPACethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
SMILESCC.COc1cc2c(cc1O)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
InChIInChI=1S/C23H18N2O3.C2H6/c1-28-21-12-18-16(11-20(21)27)10-19-22(24-25-23(18)19)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14;1-2/h2-9,11-12,26-27H,10H2,1H3,(H,24,25);1-2H3
InChIKeyGTBYMKCIXIJYML-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.76
Rot. Bonds3

About ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol

ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol (PubChem CID 142940471) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol.

Molecular Properties

Compound Nameethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
PubChem CID142940471
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Nameethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
SMILESCC.COc1cc2c(cc1O)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
InChIInChI=1S/C23H18N2O3.C2H6/c1-28-21-12-18-16(11-20(21)27)10-19-22(24-25-23(18)19)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14;1-2/h2-9,11-12,26-27H,10H2,1H3,(H,24,25);1-2H3
InChIKeyGTBYMKCIXIJYML-UHFFFAOYSA-N
XLogP5.76
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-3-[4-(1h-Tetrazol-5-Yl)phenyl]-1,4-Dihydroindeno[1,2-C]pyrazole
CID 44443166
4-[(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)ethynyl]-2-Methoxyphenol
CID 44443175
3-(4'-Hydroxybiphenyl-4-Yl)-2,4-Dihydroindeno[1,2-C]pyrazol-6-Ol
CID 135464186
4-(6,7-Dimethoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl)phenol
CID 135566732
4'-[7-(Hydroxymethyl)-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl]biphenyl-4-Ol
CID 135566734
4''-(6,7-Dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol
CID 136118055
4-[7-Methoxy-6-(tetrahydro-pyran-4-yloxy)-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl]-benzonitrile
CID 44443217
(2R)-3-[[3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]oxy]propane-1,2-diol
CID 135616966
4-[4-[6-Methoxy-7-(2-piperidin-1-ylethoxy)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
CID 135966067
4-[4-[6-[(2-Hydroxyethylamino)methyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
CID 136060618
4-[4-[7-Methoxy-6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
CID 136060619
4-[4-[7-Methoxy-6-(2-pyrrolidin-1-ylethoxy)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]phenol
CID 136118039

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The IUPAC name of ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol (CID 142940471) is ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol.
What is the SMILES notation for ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The canonical SMILES for ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol is CC.COc1cc2c(cc1O)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2.
What is the InChIKey of ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
The InChIKey is GTBYMKCIXIJYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.C2H6/c1-28-21-12-18-16(11-20(21)27)10-19-22(24-25-23(18)19)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14;1-2/h2-9,11-12,26-27H,10H2,1H3,(H,24,25);1-2H3.
What are the key properties of ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol?
ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol has a molecular weight of 400.48 g/mol, XLogP of 5.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(4-hydroxyphenyl)phenyl]-7-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-6-ol is sourced from PubChem (CID 142940471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).