1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid

C15H14ClN3O3 — CID 119356183

IUPAC1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H14ClN3O3/c16-10-5-2-1-4-9(10)11-8-12(18-17-11)14(20)19-7-3-6-13(19)15(21)22/h1-2,4-5,8,13H,3,6-7H2,(H,17,18)(H,21,22)
InChIKeyJVMFNLUXIYMCDA-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid

1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356183) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119356183
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H14ClN3O3/c16-10-5-2-1-4-9(10)11-8-12(18-17-11)14(20)19-7-3-6-13(19)15(21)22/h1-2,4-5,8,13H,3,6-7H2,(H,17,18)(H,21,22)
InChIKeyJVMFNLUXIYMCDA-UHFFFAOYSA-N
XLogP2.42
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 94074907
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 97014540
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489210
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 64524062
methyl 1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-2-carboxylate
CID 86919843
(2S)-1-(2H-benzotriazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66263146

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid (CID 119356183) is 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JVMFNLUXIYMCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-10-5-2-1-4-9(10)11-8-12(18-17-11)14(20)19-7-3-6-13(19)15(21)22/h1-2,4-5,8,13H,3,6-7H2,(H,17,18)(H,21,22).
What are the key properties of 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 319.75 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).