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

C16H12FN3 — CID 18445815

IUPAC6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESFc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C16H12FN3/c17-11-6-7-13-10(8-11)9-14-15(13)19-20-16(14)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,18,19,20)
InChIKeyDIQUEMFRDBWWOS-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.86
Rot. Bonds2

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

6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445815) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound Name6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445815
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESFc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2
InChIInChI=1S/C16H12FN3/c17-11-6-7-13-10(8-11)9-14-15(13)19-20-16(14)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,18,19,20)
InChIKeyDIQUEMFRDBWWOS-UHFFFAOYSA-N
XLogP3.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445815) is 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is Fc1ccc2c(c1)Cc1c(Nc3ccccc3)n[nH]c1-2.
What is the InChIKey of 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is DIQUEMFRDBWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-11-6-7-13-10(8-11)9-14-15(13)19-20-16(14)18-12-4-2-1-3-5-12/h1-8H,9H2,(H2,18,19,20).
What are the key properties of 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 265.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-phenyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).