(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide

C21H32N4O4 — CID 66899807

IUPAC(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCOC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCOC(C)C)n2)C1
InChIInChI=1S/C21H32N4O4/c1-15(2)29-11-10-24-9-8-19(23-24)22-21(27)18(12-16-6-4-5-7-16)25-14-17(28-3)13-20(25)26/h8-9,13,15-16,18H,4-7,10-12,14H2,1-3H3,(H,22,23,27)/t18-/m0/s1
InChIKeyBBJYCEVOCGJCJV-SFHVURJKSA-N
MW404.51 g/mol
LogP2.57
Rot. Bonds10

About (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide

(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (PubChem CID 66899807) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
PubChem CID66899807
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
SMILESCOC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCOC(C)C)n2)C1
InChIInChI=1S/C21H32N4O4/c1-15(2)29-11-10-24-9-8-19(23-24)22-21(27)18(12-16-6-4-5-7-16)25-14-17(28-3)13-20(25)26/h8-9,13,15-16,18H,4-7,10-12,14H2,1-3H3,(H,22,23,27)/t18-/m0/s1
InChIKeyBBJYCEVOCGJCJV-SFHVURJKSA-N
XLogP2.57
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide 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

3-cyclohexyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]propanamide
CID 72133284
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide
CID 44629281
3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]propanamide
CID 67215334
(2S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[2-oxo-4-(trifluoromethyl)pyridin-1-yl]propanamide
CID 67215730
3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
CID 67215731
(S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2-(4-methoxy-2-oxo-2,5-dihydro-pyrrol-1-yl)-propionamide
CID 44252903
(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 44252906
(S)-3-cyclopentyl-N-[1-(2-methoxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2-(4-methoxy-2-oxo-2,5-dihydro-pyrrol-1-yl)-propionamide
CID 44252907
tert-butyl N-[2-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]ethyl]carbamate
CID 44253054
(S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-2-[4-((S)-2-methoxy-1-methyl-ethoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-propionamide
CID 44253199
(2S)-3-cyclopentyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
CID 44253201
(2S)-3-cyclopentyl-2-(3-cyclopentyloxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 44253202

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The IUPAC name of (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (CID 66899807) is (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is COC1=CC(=O)N([C@@H](CC2CCCC2)C(=O)Nc2ccn(CCOC(C)C)n2)C1.
What is the InChIKey of (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
The InChIKey is BBJYCEVOCGJCJV-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-15(2)29-11-10-24-9-8-19(23-24)22-21(27)18(12-16-6-4-5-7-16)25-14-17(28-3)13-20(25)26/h8-9,13,15-16,18H,4-7,10-12,14H2,1-3H3,(H,22,23,27)/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 66899807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).