N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H18FN3O2 — CID 18445751

IUPACN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCc3cccc(F)c3)c1C2
InChIInChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-6,8-9H,7,10H2,1-2H3,(H2,21,22,23)
InChIKeyZZLZKPUODGPYPN-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.75
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445751) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445751
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCc3cccc(F)c3)c1C2
InChIInChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-6,8-9H,7,10H2,1-2H3,(H2,21,22,23)
InChIKeyZZLZKPUODGPYPN-UHFFFAOYSA-N
XLogP3.75
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenyl]methanol
CID 18445566
6,7-dimethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445768
N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445835
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
6,7-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 11569396
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564
6,7-dimethoxy-N-(3-methyl-2-pyridinyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445754
N-(2-bromophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445506
N-[3,5-bis(trifluoromethyl)phenyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 18445548
N-[[2-(2,2-difluoroethyl)phenyl]methyl]-6,7-diethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 71020205
methyl 2-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]benzoate
CID 141081209
N-(3-fluorophenyl)-7-methyl-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 10265603

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445751) is N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(NCc3cccc(F)c3)c1C2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is ZZLZKPUODGPYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-24-16-8-12-7-15-18(14(12)9-17(16)25-2)22-23-19(15)21-10-11-4-3-5-13(20)6-11/h3-6,8-9H,7,10H2,1-2H3,(H2,21,22,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 339.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).