1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid

C15H14FN3O3 — CID 119355330

IUPAC1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H14FN3O3/c16-11-1-3-12(4-2-11)19-8-6-13(17-19)14(20)18-7-5-10(9-18)15(21)22/h1-4,6,8,10H,5,7,9H2,(H,21,22)
InChIKeyDMWDRDJUNPMLDG-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.56
Rot. Bonds3

About 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid

1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355330) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119355330
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H14FN3O3/c16-11-1-3-12(4-2-11)19-8-6-13(17-19)14(20)18-7-5-10(9-18)15(21)22/h1-4,6,8,10H,5,7,9H2,(H,21,22)
InChIKeyDMWDRDJUNPMLDG-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023395
1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119353697
[1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400312
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904187
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid (CID 119355330) is 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DMWDRDJUNPMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-1-3-12(4-2-11)19-8-6-13(17-19)14(20)18-7-5-10(9-18)15(21)22/h1-4,6,8,10H,5,7,9H2,(H,21,22).
What are the key properties of 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119355330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).