5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid

C14H15N3O2 — CID 107331164

IUPAC5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccnn2-c2ccccc2)N1
InChIInChI=1S/C14H15N3O2/c18-14(19)12-7-6-11(16-12)13-8-9-15-17(13)10-4-2-1-3-5-10/h1-5,8-9,11-12,16H,6-7H2,(H,18,19)
InChIKeyXYXVOCBCDMAAMD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.75
Rot. Bonds3

About 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid

5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 107331164) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID107331164
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccnn2-c2ccccc2)N1
InChIInChI=1S/C14H15N3O2/c18-14(19)12-7-6-11(16-12)13-8-9-15-17(13)10-4-2-1-3-5-10/h1-5,8-9,11-12,16H,6-7H2,(H,18,19)
InChIKeyXYXVOCBCDMAAMD-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-phenylpyrazole
CID 67206706
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577262
4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
CID 107331171
5-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 19968166
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
trans-(1R,2R)-2-(2-phenylpyrazol-3-yl)cyclopropan-1-amine
CID 125129239
(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 119056813
5-(1-benzofuran-2-yl)pyrrolidine-2-carboxylic acid
CID 112693433
2-(2-phenylpyrazol-3-yl)-4-(trifluoromethyl)piperidine
CID 107331187

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid (CID 107331164) is 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccnn2-c2ccccc2)N1.
What is the InChIKey of 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is XYXVOCBCDMAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)12-7-6-11(16-12)13-8-9-15-17(13)10-4-2-1-3-5-10/h1-5,8-9,11-12,16H,6-7H2,(H,18,19).
What are the key properties of 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107331164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).