3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid

C15H14FN3O3 — CID 119258518

IUPAC3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H14FN3O3/c16-15(14(21)22)6-9-18(10-15)13(20)11-2-4-12(5-3-11)19-8-1-7-17-19/h1-5,7-8H,6,9-10H2,(H,21,22)
InChIKeyIXBXYQDBTCRZSH-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.51
Rot. Bonds3

About 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid

3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 119258518) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID119258518
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H14FN3O3/c16-15(14(21)22)6-9-18(10-15)13(20)11-2-4-12(5-3-11)19-8-1-7-17-19/h1-5,7-8H,6,9-10H2,(H,21,22)
InChIKeyIXBXYQDBTCRZSH-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
3-fluoro-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 122108072
1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258108
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
1-(3,4-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259545
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 32532341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (CID 119258518) is 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(c1ccc(-n2cccn2)cc1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IXBXYQDBTCRZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-15(14(21)22)6-9-18(10-15)13(20)11-2-4-12(5-3-11)19-8-1-7-17-19/h1-5,7-8H,6,9-10H2,(H,21,22).
What are the key properties of 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).