7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C17H15N3O — CID 11608830

IUPAC7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)-c1[nH]nc(Nc3ccccc3)c1C2
InChIInChI=1S/C17H15N3O/c1-21-13-8-7-11-9-15-16(14(11)10-13)19-20-17(15)18-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyNUQUNCWBUDTVNX-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.73
Rot. Bonds3

About 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 11608830) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID11608830
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)-c1[nH]nc(Nc3ccccc3)c1C2
InChIInChI=1S/C17H15N3O/c1-21-13-8-7-11-9-15-16(14(11)10-13)19-20-17(15)18-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20)
InChIKeyNUQUNCWBUDTVNX-UHFFFAOYSA-N
XLogP3.73
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 11608830) is 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1ccc2c(c1)-c1[nH]nc(Nc3ccccc3)c1C2.
What is the InChIKey of 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is NUQUNCWBUDTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-13-8-7-11-9-15-16(14(11)10-13)19-20-17(15)18-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,19,20).
What are the key properties of 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 277.33 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 11608830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).