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

C19H19N3O3 — CID 18445566

IUPAC[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(CO)c3)c1C2
InChIInChI=1S/C19H19N3O3/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)21-22-19(15)20-13-5-3-4-11(6-13)10-23/h3-6,8-9,23H,7,10H2,1-2H3,(H2,20,21,22)
InChIKeyADCAVKSVRDXFQA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.23
Rot. Bonds5

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

[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol (PubChem CID 18445566) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
PubChem CID18445566
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(CO)c3)c1C2
InChIInChI=1S/C19H19N3O3/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)21-22-19(15)20-13-5-3-4-11(6-13)10-23/h3-6,8-9,23H,7,10H2,1-2H3,(H2,20,21,22)
InChIKeyADCAVKSVRDXFQA-UHFFFAOYSA-N
XLogP3.23
TPSA79.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol?
The IUPAC name of [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol (CID 18445566) is [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol.
What is the SMILES notation for [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol?
The canonical SMILES for [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(CO)c3)c1C2.
What is the InChIKey of [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol?
The InChIKey is ADCAVKSVRDXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)21-22-19(15)20-13-5-3-4-11(6-13)10-23/h3-6,8-9,23H,7,10H2,1-2H3,(H2,20,21,22).
What are the key properties of [3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol?
[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol has a molecular weight of 337.38 g/mol, XLogP of 3.23, 5 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]phenyl]methanol is sourced from PubChem (CID 18445566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).