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

C19H16N4O2 — CID 11496022

IUPAC3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C#N)c3)c1C2
InChIInChI=1S/C19H16N4O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-13-5-3-4-11(6-13)10-20/h3-6,8-9H,7H2,1-2H3,(H2,21,22,23)
InChIKeyAMTQDOFBZCKROV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.61
Rot. Bonds4

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

3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile (PubChem CID 11496022) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile
PubChem CID11496022
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C#N)c3)c1C2
InChIInChI=1S/C19H16N4O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-13-5-3-4-11(6-13)10-20/h3-6,8-9H,7H2,1-2H3,(H2,21,22,23)
InChIKeyAMTQDOFBZCKROV-UHFFFAOYSA-N
XLogP3.61
TPSA82.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
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]benzonitrile?
The IUPAC name of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile (CID 11496022) is 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile?
The canonical SMILES for 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(C#N)c3)c1C2.
What is the InChIKey of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile?
The InChIKey is AMTQDOFBZCKROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-13-5-3-4-11(6-13)10-20/h3-6,8-9H,7H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile?
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzonitrile has a molecular weight of 332.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 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]benzonitrile is sourced from PubChem (CID 11496022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).