N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide

C21H26N4O3 — CID 176976805

IUPACN-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCn1nccc1-c1ccc2c(c1)CCCC2NC(=O)C1CC(O)CN1C=O
InChIInChI=1S/C21H26N4O3/c1-2-25-19(8-9-22-25)15-6-7-17-14(10-15)4-3-5-18(17)23-21(28)20-11-16(27)12-24(20)13-26/h6-10,13,16,18,20,27H,2-5,11-12H2,1H3,(H,23,28)
InChIKeyZUVOQJRVNMXPGI-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.66
Rot. Bonds5

About N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide

N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 176976805) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID176976805
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCn1nccc1-c1ccc2c(c1)CCCC2NC(=O)C1CC(O)CN1C=O
InChIInChI=1S/C21H26N4O3/c1-2-25-19(8-9-22-25)15-6-7-17-14(10-15)4-3-5-18(17)23-21(28)20-11-16(27)12-24(20)13-26/h6-10,13,16,18,20,27H,2-5,11-12H2,1H3,(H,23,28)
InChIKeyZUVOQJRVNMXPGI-UHFFFAOYSA-N
XLogP1.66
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CDO1 degrader-1
CID 170984299
(2S,4R)-N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-hydroxy-1-[(2R)-3-methyl-2-(1-methylpyrazol-4-yl)butanoyl]pyrrolidine-2-carboxamide
CID 177375070
(2S,4R)-N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-hydroxy-1-[(2S)-3-methyl-2-(4-methylpyrazol-1-yl)butanoyl]pyrrolidine-2-carboxamide
CID 177375072
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 177375256
US10730870, Example 92
CID 122528958
(2S,4R)-1-[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]-N-[(1R)-2-fluoro-1-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 156055053
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-[1-hydroxy-2-(1-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 167188469
(2S,4R)-1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-[(1S)-1-[4-(4-fluoro-1-methylpyrazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 172391075
N-[(1S)-1-[4-(4-fluoro-1-methylpyrazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 176275246
1-(2,3-dimethylbutanoyl)-4-hydroxy-N-[2-hydroxy-1-[4-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 176976945
(2S,4R)-N-[(1S)-1-[4-(2-ethylpyrazol-3-yl)-3-fluorophenyl]-3-piperazin-1-ylpropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(4-methyltriazol-1-yl)butanoyl]pyrrolidine-2-carboxamide
CID 177224472
(2S,4R)-1-[(2R)-3,3-dimethyl-2-(methylamino)butanoyl]-N-[[4-(4-fluoro-1-methylpyrazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 177973308

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide (CID 176976805) is N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide is CCn1nccc1-c1ccc2c(c1)CCCC2NC(=O)C1CC(O)CN1C=O.
What is the InChIKey of N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ZUVOQJRVNMXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-25-19(8-9-22-25)15-6-7-17-14(10-15)4-3-5-18(17)23-21(28)20-11-16(27)12-24(20)13-26/h6-10,13,16,18,20,27H,2-5,11-12H2,1H3,(H,23,28).
What are the key properties of N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide?
N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylpyrazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-formyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 176976805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).