1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid

C15H15N3O3 — CID 63031096

IUPAC1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H15N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,16,17)(H,20,21)
InChIKeyCELPZXKPTRTWDJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.62
Rot. Bonds3

About 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid

1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63031096) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63031096
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C15H15N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,16,17)(H,20,21)
InChIKeyCELPZXKPTRTWDJ-UHFFFAOYSA-N
XLogP1.62
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 95590134
N-(3-methylbutan-2-yl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 51129977
N-[(2R)-3-methylbutan-2-yl]-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 52529847
1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepane-6-carboxylic acid
CID 74246250
methyl 2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264279
(3-phenyl-1H-pyrazol-5-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403052
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90639018
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid (CID 63031096) is 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CELPZXKPTRTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(18-7-6-11(9-18)15(20)21)13-8-12(16-17-13)10-4-2-1-3-5-10/h1-5,8,11H,6-7,9H2,(H,16,17)(H,20,21).
What are the key properties of 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid?
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).