1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

C13H11FN2O2 — CID 16773246

IUPAC1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(F)c2)c2c1CCC2
InChIInChI=1S/C13H11FN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)
InChIKeySKEMDXFVYOXUAB-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.20
Rot. Bonds2

About 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid

1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (PubChem CID 16773246) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
PubChem CID16773246
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(F)c2)c2c1CCC2
InChIInChI=1S/C13H11FN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18)
InChIKeySKEMDXFVYOXUAB-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-Dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 612274
1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid
CID 693206
5-methyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 698388
5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylic acid
CID 1477243
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
5-tert-Butyl-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 611222
3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 6498679
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
3-tert-Butyl-1-phenyl-1H-pyrazole-5-carboxylic acid
CID 611223
3-cyclopropyl-1-phenyl-1H-pyrazole-5-carboxylic acid
CID 2525984
1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid
CID 7537625

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid (CID 16773246) is 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cccc(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
The InChIKey is SKEMDXFVYOXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-8-3-1-4-9(7-8)16-11-6-2-5-10(11)12(15-16)13(17)18/h1,3-4,7H,2,5-6H2,(H,17,18).
What are the key properties of 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid?
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 16773246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).