(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H15N3O3 — CID 78921319

IUPAC(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-4-7-13(17)15(20)21)12-8-10-18(16-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13H,4,7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyDYOZYFLYPPWZAO-CYBMUJFWSA-N
MW285.30 g/mol
LogP1.56
Rot. Bonds3

About (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78921319) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78921319
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-4-7-13(17)15(20)21)12-8-10-18(16-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13H,4,7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyDYOZYFLYPPWZAO-CYBMUJFWSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95333903
(2S)-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365692
3-[(2R)-1-(1-phenylpyrazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124701420
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 78921319) is (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DYOZYFLYPPWZAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-9-4-7-13(17)15(20)21)12-8-10-18(16-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13H,4,7,9H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.30 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 (2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).