6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid

C18H20FN5O2 — CID 174190257

IUPAC6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
SMILESO=C(O)NCCCCCCn1cc(-c2cnc3cccc(F)c3n2)cn1
InChIInChI=1S/C18H20FN5O2/c19-14-6-5-7-15-17(14)23-16(11-21-15)13-10-22-24(12-13)9-4-2-1-3-8-20-18(25)26/h5-7,10-12,20H,1-4,8-9H2,(H,25,26)
InChIKeyIFGZTDJLGRQGFG-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.46
Rot. Bonds8

About 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid

6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid (PubChem CID 174190257) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid.

Molecular Properties

Compound Name6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
PubChem CID174190257
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid
SMILESO=C(O)NCCCCCCn1cc(-c2cnc3cccc(F)c3n2)cn1
InChIInChI=1S/C18H20FN5O2/c19-14-6-5-7-15-17(14)23-16(11-21-15)13-10-22-24(12-13)9-4-2-1-3-8-20-18(25)26/h5-7,10-12,20H,1-4,8-9H2,(H,25,26)
InChIKeyIFGZTDJLGRQGFG-UHFFFAOYSA-N
XLogP3.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The IUPAC name of 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid (CID 174190257) is 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid.
What is the SMILES notation for 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The canonical SMILES for 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid is O=C(O)NCCCCCCn1cc(-c2cnc3cccc(F)c3n2)cn1.
What is the InChIKey of 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
The InChIKey is IFGZTDJLGRQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-6-5-7-15-17(14)23-16(11-21-15)13-10-22-24(12-13)9-4-2-1-3-8-20-18(25)26/h5-7,10-12,20H,1-4,8-9H2,(H,25,26).
What are the key properties of 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid?
6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid has a molecular weight of 357.39 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(8-fluoroquinoxalin-2-yl)pyrazol-1-yl]hexylcarbamic acid is sourced from PubChem (CID 174190257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).