1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium

C17H14FN2O+ — CID 153464716

IUPAC1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium
SMILESCc1cc2c(cc1-n1ccc[n+]1C)oc1cc(F)ccc12
InChIInChI=1S/C17H14FN2O/c1-11-8-14-13-5-4-12(18)9-16(13)21-17(14)10-15(11)20-7-3-6-19(20)2/h3-10H,1-2H3/q+1
InChIKeyLMDSQJWRYGPDOZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.65
Rot. Bonds1

About 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium

1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium (PubChem CID 153464716) has the molecular formula C17H14FN2O+ and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium.

Molecular Properties

Compound Name1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium
PubChem CID153464716
Molecular FormulaC17H14FN2O+
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium
SMILESCc1cc2c(cc1-n1ccc[n+]1C)oc1cc(F)ccc12
InChIInChI=1S/C17H14FN2O/c1-11-8-14-13-5-4-12(18)9-16(13)21-17(14)10-15(11)20-7-3-6-19(20)2/h3-10H,1-2H3/q+1
InChIKeyLMDSQJWRYGPDOZ-UHFFFAOYSA-N
XLogP3.65
TPSA21.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,12-dimethyl-13-(2-methylpyrazol-2-ium-1-yl)-8,16-dioxa-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 140827550
9-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methylpyrido[2,3-b]indol-1-ium;9-(7-fluoro-2-methyldibenzofuran-3-yl)-1-methylpyrido[2,3-b]indol-1-ium
CID 161044485
5-fluoro-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 159857293
1-(2,8,11,11,12,12-hexamethylchrysen-3-yl)-2-methylpyrazol-2-ium
CID 158426429
2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4-(2-methylpropyl)pyridin-1-ium
CID 164797279
2-methyldibenzofuran-3-diazonium
CID 86032605
2-(7-fluoro-1,3-dimethyldibenzofuran-4-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 152995746
2-fluoro-6-methyl-7-[1-methyl-3-(2-phenylphenyl)imidazol-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 153464819
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
2,6-dimethyl-5-(2-methylpyrazol-2-ium-1-yl)-[1]benzofuro[3,2-d][1,3]oxazole
CID 140827949
1,4-dimethyl-2,6-bis(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium
CID 123422045
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium?
The IUPAC name of 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium (CID 153464716) is 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium.
What is the SMILES notation for 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium?
The canonical SMILES for 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium is Cc1cc2c(cc1-n1ccc[n+]1C)oc1cc(F)ccc12.
What is the InChIKey of 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium?
The InChIKey is LMDSQJWRYGPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN2O/c1-11-8-14-13-5-4-12(18)9-16(13)21-17(14)10-15(11)20-7-3-6-19(20)2/h3-10H,1-2H3/q+1.
What are the key properties of 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium?
1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium has a molecular weight of 281.31 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2-methyldibenzofuran-3-yl)-2-methylpyrazol-2-ium is sourced from PubChem (CID 153464716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).