N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C17H14FN3O — CID 18445658

IUPACN-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C17H14FN3O/c1-22-15-4-2-3-12-13(15)9-14-16(12)20-21-17(14)19-11-7-5-10(18)6-8-11/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyWDIUXVRTHCWXJK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.87
Rot. Bonds3

About N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445658) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445658
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C17H14FN3O/c1-22-15-4-2-3-12-13(15)9-14-16(12)20-21-17(14)19-11-7-5-10(18)6-8-11/h2-8H,9H2,1H3,(H2,19,20,21)
InChIKeyWDIUXVRTHCWXJK-UHFFFAOYSA-N
XLogP3.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445658) is N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cccc2c1Cc1c(Nc3ccc(F)cc3)n[nH]c1-2.
What is the InChIKey of N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is WDIUXVRTHCWXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-22-15-4-2-3-12-13(15)9-14-16(12)20-21-17(14)19-11-7-5-10(18)6-8-11/h2-8H,9H2,1H3,(H2,19,20,21).
What are the key properties of N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 295.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).