(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

C19H24N4O4 — CID 110198401

IUPAC(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccnn1C
InChIInChI=1S/C19H24N4O4/c1-22-16(8-9-21-22)19(25)23-13-15(27-14-6-4-3-5-7-14)12-17(23)18(24)20-10-11-26-2/h3-9,15,17H,10-13H2,1-2H3,(H,20,24)/t15-,17-/m0/s1
InChIKeyYQXOPLJQEGXBJM-RDJZCZTQSA-N
MW372.43 g/mol
LogP0.84
Rot. Bonds7

About (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide

(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110198401) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110198401
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccnn1C
InChIInChI=1S/C19H24N4O4/c1-22-16(8-9-21-22)19(25)23-13-15(27-14-6-4-3-5-7-14)12-17(23)18(24)20-10-11-26-2/h3-9,15,17H,10-13H2,1-2H3,(H,20,24)/t15-,17-/m0/s1
InChIKeyYQXOPLJQEGXBJM-RDJZCZTQSA-N
XLogP0.84
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142108
N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142100
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110198415
2-N-(2-methoxyethyl)-1-N-[(4-methylphenyl)methyl]-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 171142116
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380
(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 110197069
(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197066
(2R,4S)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110196943
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide (CID 110198401) is (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)c1ccnn1C.
What is the InChIKey of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is YQXOPLJQEGXBJM-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-22-16(8-9-21-22)19(25)23-13-15(27-14-6-4-3-5-7-14)12-17(23)18(24)20-10-11-26-2/h3-9,15,17H,10-13H2,1-2H3,(H,20,24)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide?
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).