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

C17H15N3O2 — CID 122178339

IUPAC3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
SMILESCOc1ccc2c(c1)Cc1c(Nc3cccc(O)c3)n[nH]c1-2
InChIInChI=1S/C17H15N3O2/c1-22-13-5-6-14-10(7-13)8-15-16(14)19-20-17(15)18-11-3-2-4-12(21)9-11/h2-7,9,21H,8H2,1H3,(H2,18,19,20)
InChIKeyRKGLHZSSVUDZAQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.44
Rot. Bonds3

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

3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol (PubChem CID 122178339) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
PubChem CID122178339
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
SMILESCOc1ccc2c(c1)Cc1c(Nc3cccc(O)c3)n[nH]c1-2
InChIInChI=1S/C17H15N3O2/c1-22-13-5-6-14-10(7-13)8-15-16(14)19-20-17(15)18-11-3-2-4-12(21)9-11/h2-7,9,21H,8H2,1H3,(H2,18,19,20)
InChIKeyRKGLHZSSVUDZAQ-UHFFFAOYSA-N
XLogP3.44
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The IUPAC name of 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol (CID 122178339) is 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol.
What is the SMILES notation for 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The canonical SMILES for 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol is COc1ccc2c(c1)Cc1c(Nc3cccc(O)c3)n[nH]c1-2.
What is the InChIKey of 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
The InChIKey is RKGLHZSSVUDZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-13-5-6-14-10(7-13)8-15-16(14)19-20-17(15)18-11-3-2-4-12(21)9-11/h2-7,9,21H,8H2,1H3,(H2,18,19,20).
What are the key properties of 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol?
3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol has a molecular weight of 293.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol is sourced from PubChem (CID 122178339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).