1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid

C13H13FN2O2 — CID 150370525

IUPAC1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid
SMILESO=C(O)C1=C2CCCN2N(c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O2/c14-10-4-1-2-5-12(10)16-8-9(13(17)18)11-6-3-7-15(11)16/h1-2,4-5H,3,6-8H2,(H,17,18)
InChIKeyGXQDZAKSBDLGEG-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid

1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid (PubChem CID 150370525) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid
PubChem CID150370525
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid
SMILESO=C(O)C1=C2CCCN2N(c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O2/c14-10-4-1-2-5-12(10)16-8-9(13(17)18)11-6-3-7-15(11)16/h1-2,4-5H,3,6-8H2,(H,17,18)
InChIKeyGXQDZAKSBDLGEG-UHFFFAOYSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82201206
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CID 108958783
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
2-(2-fluorophenyl)cyclopentene-1-carboxylic acid
CID 130861385
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
1-(2-fluorophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-7a-carboxylic acid
CID 82019186
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
N-benzyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 154782506
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
5-(2-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105496008
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid (CID 150370525) is 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid is O=C(O)C1=C2CCCN2N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid?
The InChIKey is GXQDZAKSBDLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-4-1-2-5-12(10)16-8-9(13(17)18)11-6-3-7-15(11)16/h1-2,4-5H,3,6-8H2,(H,17,18).
What are the key properties of 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid?
1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,4,5,6-tetrahydropyrrolo[1,2-b]pyrazole-3-carboxylic acid is sourced from PubChem (CID 150370525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).