N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide

C20H26N4O4 — CID 110164811

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
SMILESCN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C20H26N4O4/c1-22(16-7-8-17(19(16)26)23-9-11-28-12-10-23)20(27)15-13-18(25)24(21-15)14-5-3-2-4-6-14/h2-6,16-17,19,26H,7-13H2,1H3/t16-,17-,19-/m1/s1
InChIKeyOJKNSYYXLAUNDJ-ZHALLVOQSA-N
MW386.45 g/mol
LogP0.46
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide (PubChem CID 110164811) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
PubChem CID110164811
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
SMILESCN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C20H26N4O4/c1-22(16-7-8-17(19(16)26)23-9-11-28-12-10-23)20(27)15-13-18(25)24(21-15)14-5-3-2-4-6-14/h2-6,16-17,19,26H,7-13H2,1H3/t16-,17-,19-/m1/s1
InChIKeyOJKNSYYXLAUNDJ-ZHALLVOQSA-N
XLogP0.46
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide (CID 110164811) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide is CN(C(=O)C1=NN(c2ccccc2)C(=O)C1)[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide?
The InChIKey is OJKNSYYXLAUNDJ-ZHALLVOQSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-22(16-7-8-17(19(16)26)23-9-11-28-12-10-23)20(27)15-13-18(25)24(21-15)14-5-3-2-4-6-14/h2-6,16-17,19,26H,7-13H2,1H3/t16-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methyl-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 110164811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).