(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N4O3 — CID 119370965

IUPAC(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H14N4O3/c19-13(17-6-2-4-12(17)14(20)21)10-7-16-18(9-10)11-3-1-5-15-8-11/h1,3,5,7-9,12H,2,4,6H2,(H,20,21)/t12-/m1/s1
InChIKeyQSYOZJXXSISKSQ-GFCCVEGCSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds3

About (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119370965) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119370965
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C14H14N4O3/c19-13(17-6-2-4-12(17)14(20)21)10-7-16-18(9-10)11-3-1-5-15-8-11/h1,3,5,7-9,12H,2,4,6H2,(H,20,21)/t12-/m1/s1
InChIKeyQSYOZJXXSISKSQ-GFCCVEGCSA-N
XLogP0.96
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 86784862
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
(2S)-1-(1-phenyltriazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61136582
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(isoquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119355718
(2S)-1-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125149679
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
(2R,3R)-1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115497
N-(2,4-dichlorophenyl)-1-(1-phenylpyrazole-4-carbonyl)piperidine-2-carboxamide
CID 78884267

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 119370965) is (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QSYOZJXXSISKSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(17-6-2-4-12(17)14(20)21)10-7-16-18(9-10)11-3-1-5-15-8-11/h1,3,5,7-9,12H,2,4,6H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).