2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H17N3O3 — CID 83059025

IUPAC2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-15(14(20)21)8-5-9-18(15)13(19)12-10-6-3-4-7-11(10)16-17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyUFRMNAXIUHIFAB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.03
Rot. Bonds3

About 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 83059025) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID83059025
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H17N3O3/c1-2-15(14(20)21)8-5-9-18(15)13(19)12-10-6-3-4-7-11(10)16-17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17)(H,20,21)
InChIKeyUFRMNAXIUHIFAB-UHFFFAOYSA-N
XLogP2.03
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059198
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075548
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059786
1H-indazol-3-yl(pyrazolidin-1-yl)methanone
CID 170858238
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
1-(3,4-dichlorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83076119
1-(1,3-dihydroisoindole-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83063858
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075485
1-(1-benzothiophene-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83058030

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 83059025) is 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UFRMNAXIUHIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-15(14(20)21)8-5-9-18(15)13(19)12-10-6-3-4-7-11(10)16-17-12/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17)(H,20,21).
What are the key properties of 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83059025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).