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

C17H15N3O — CID 11565353

IUPAC6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C17H15N3O/c1-21-13-7-8-14-11(9-13)10-15-16(14)19-20-17(15)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyVOANTDNTSHHMTE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.73
Rot. Bonds3

About 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 11565353) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID11565353
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C17H15N3O/c1-21-13-7-8-14-11(9-13)10-15-16(14)19-20-17(15)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20)
InChIKeyVOANTDNTSHHMTE-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 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 11565353) is 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2.
What is the InChIKey of 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is VOANTDNTSHHMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-13-7-8-14-11(9-13)10-15-16(14)19-20-17(15)18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,20).
What are the key properties of 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6-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 6-methoxy-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 11565353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).