N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine

C15H20FN3O — CID 59494816

IUPACN-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(CNC2CC2)c2cc(F)ccc21
InChIInChI=1S/C15H20FN3O/c1-20-8-2-7-19-15-6-3-11(16)9-13(15)14(18-19)10-17-12-4-5-12/h3,6,9,12,17H,2,4-5,7-8,10H2,1H3
InChIKeyMQIMHOKFJXNUMF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.46
Rot. Bonds7

About N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine

N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine (PubChem CID 59494816) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
PubChem CID59494816
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(CNC2CC2)c2cc(F)ccc21
InChIInChI=1S/C15H20FN3O/c1-20-8-2-7-19-15-6-3-11(16)9-13(15)14(18-19)10-17-12-4-5-12/h3,6,9,12,17H,2,4-5,7-8,10H2,1H3
InChIKeyMQIMHOKFJXNUMF-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine (CID 59494816) is N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine is COCCCn1nc(CNC2CC2)c2cc(F)ccc21.
What is the InChIKey of N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine?
The InChIKey is MQIMHOKFJXNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-20-8-2-7-19-15-6-3-11(16)9-13(15)14(18-19)10-17-12-4-5-12/h3,6,9,12,17H,2,4-5,7-8,10H2,1H3.
What are the key properties of N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine?
N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine has a molecular weight of 277.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).