6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol

C18H17N3O2 — CID 143051410

IUPAC6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
SMILESCOc1cc2c(cc1O)-c1[nH]nc(Nc3cccc(C)c3)c1C2
InChIInChI=1S/C18H17N3O2/c1-10-4-3-5-12(6-10)19-18-14-7-11-8-16(23-2)15(22)9-13(11)17(14)20-21-18/h3-6,8-9,22H,7H2,1-2H3,(H2,19,20,21)
InChIKeyONBYYKHTNWXDDV-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.75
Rot. Bonds3

About 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol

6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol (PubChem CID 143051410) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol.

Molecular Properties

Compound Name6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
PubChem CID143051410
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
SMILESCOc1cc2c(cc1O)-c1[nH]nc(Nc3cccc(C)c3)c1C2
InChIInChI=1S/C18H17N3O2/c1-10-4-3-5-12(6-10)19-18-14-7-11-8-16(23-2)15(22)9-13(11)17(14)20-21-18/h3-6,8-9,22H,7H2,1-2H3,(H2,19,20,21)
InChIKeyONBYYKHTNWXDDV-UHFFFAOYSA-N
XLogP3.75
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
6,7-dimethoxy-N-(3-methoxyphenyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10359698
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
N-(3-fluorophenyl)-7-methyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10265603
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445506
6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445754
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445548
N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11682291
N-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 11496227
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 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol?
The IUPAC name of 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol (CID 143051410) is 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol.
What is the SMILES notation for 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol?
The canonical SMILES for 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol is COc1cc2c(cc1O)-c1[nH]nc(Nc3cccc(C)c3)c1C2.
What is the InChIKey of 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol?
The InChIKey is ONBYYKHTNWXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-4-3-5-12(6-10)19-18-14-7-11-8-16(23-2)15(22)9-13(11)17(14)20-21-18/h3-6,8-9,22H,7H2,1-2H3,(H2,19,20,21).
What are the key properties of 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol?
6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol has a molecular weight of 307.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol is sourced from PubChem (CID 143051410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).