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

C21H32N4O4 — CID 66899809

IUPAC3-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(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)
InChIKeyBBJYCEVOCGJCJV-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.57
Rot. Bonds10

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

3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (PubChem CID 66899809) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
PubChem CID66899809
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name3-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(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)
InChIKeyBBJYCEVOCGJCJV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 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 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide (CID 66899809) is 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 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 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(CC2CCCC2)C(=O)Nc2ccn(CCOC(C)C)n2)C1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide?
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 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 66899809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).