3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol

C18H17N3O3 — CID 18445564

IUPAC3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(O)c3)c1C2
InChIInChI=1S/C18H17N3O3/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)20-21-18(14)19-11-4-3-5-12(22)8-11/h3-5,7-9,22H,6H2,1-2H3,(H2,19,20,21)
InChIKeyHIIXMFPTEPGMJN-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.45
Rot. Bonds4

About 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol

3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol (PubChem CID 18445564) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
PubChem CID18445564
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(O)c3)c1C2
InChIInChI=1S/C18H17N3O3/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)20-21-18(14)19-11-4-3-5-12(22)8-11/h3-5,7-9,22H,6H2,1-2H3,(H2,19,20,21)
InChIKeyHIIXMFPTEPGMJN-UHFFFAOYSA-N
XLogP3.45
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-methoxy-3-(3-methylanilino)-1,4-dihydroindeno[2,1-d]pyrazol-7-ol
CID 143051410
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445548
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
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
N-(2,4-dichlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11682291
methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
CID 141081209
N-(4-chlorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 11496227
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445751

Frequently Asked Questions

What is the IUPAC name of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The IUPAC name of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol (CID 18445564) is 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol.
What is the SMILES notation for 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The canonical SMILES for 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(O)c3)c1C2.
What is the InChIKey of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The InChIKey is HIIXMFPTEPGMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)20-21-18(14)19-11-4-3-5-12(22)8-11/h3-5,7-9,22H,6H2,1-2H3,(H2,19,20,21).
What are the key properties of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol has a molecular weight of 323.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol is sourced from PubChem (CID 18445564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).