2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

C12H11FN2O2 — CID 105494040

IUPAC2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccccc1F)CCOC2
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-2-4-11(9)15-12(16)8-7-17-6-5-10(8)14-15/h1-4,14H,5-7H2
InChIKeySXQJLCNHNGRVNU-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.38
Rot. Bonds1

About 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one

2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (PubChem CID 105494040) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
PubChem CID105494040
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccccc1F)CCOC2
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-2-4-11(9)15-12(16)8-7-17-6-5-10(8)14-15/h1-4,14H,5-7H2
InChIKeySXQJLCNHNGRVNU-UHFFFAOYSA-N
XLogP1.38
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazol-3-one
CID 103994907
4-fluoro-1-(2-fluorophenyl)-2H-indazol-3-one
CID 57420560
9-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10017510
8-fluoro-3,4-dihydro-1H-isochromene;N-methylmethanamine
CID 142279514
N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577883
3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
CID 61263646
5-tert-butyl-2-(2-fluorophenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123667
5-cyclopropyl-2-(2-fluorophenyl)-1H-pyrazole-3-thione
CID 63353958
7,8-difluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 58189295
1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166214840
2-(2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83889894
8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 58189277

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one (CID 105494040) is 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is O=c1c2c([nH]n1-c1ccccc1F)CCOC2.
What is the InChIKey of 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
The InChIKey is SXQJLCNHNGRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-1-2-4-11(9)15-12(16)8-7-17-6-5-10(8)14-15/h1-4,14H,5-7H2.
What are the key properties of 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one?
2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one has a molecular weight of 234.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 105494040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).