2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid

C18H17N5O3 — CID 135205672

IUPAC2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESN#Cc1[nH]ncc1-c1cccc2c1CCN2C(=O)C1CCCN1C(=O)O
InChIInChI=1S/C18H17N5O3/c19-9-14-13(10-20-21-14)11-3-1-4-15-12(11)6-8-22(15)17(24)16-5-2-7-23(16)18(25)26/h1,3-4,10,16H,2,5-8H2,(H,20,21)(H,25,26)
InChIKeyWKXWSJSXVSOCAI-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.98
Rot. Bonds2

About 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid

2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 135205672) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
PubChem CID135205672
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
SMILESN#Cc1[nH]ncc1-c1cccc2c1CCN2C(=O)C1CCCN1C(=O)O
InChIInChI=1S/C18H17N5O3/c19-9-14-13(10-20-21-14)11-3-1-4-15-12(11)6-8-22(15)17(24)16-5-2-7-23(16)18(25)26/h1,3-4,10,16H,2,5-8H2,(H,20,21)(H,25,26)
InChIKeyWKXWSJSXVSOCAI-UHFFFAOYSA-N
XLogP1.98
TPSA113.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[6-(hydroxymethyl)-4-phenyl-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135204575
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
2-[4-(2-aminopyrimidin-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carbonitrile
CID 175219682
tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 175217445
(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
CID 140885139
3-(5-cyano-1H-pyrazol-4-yl)benzoic acid
CID 56704825
(2S)-2-(5-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidine-1-carboxylic acid
CID 135205275
(4-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 174895867
(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 136516324
2,3-dihydroindol-1-yl-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]methanone
CID 118879005
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid (CID 135205672) is 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid is N#Cc1[nH]ncc1-c1cccc2c1CCN2C(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is WKXWSJSXVSOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-9-14-13(10-20-21-14)11-3-1-4-15-12(11)6-8-22(15)17(24)16-5-2-7-23(16)18(25)26/h1,3-4,10,16H,2,5-8H2,(H,20,21)(H,25,26).
What are the key properties of 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid?
2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135205672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).