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

C23H36N4O4 — CID 66899088

IUPAC3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)C(CC2CCCC2)N2CC(OC(C)C)=CC2=O)n1
InChIInChI=1S/C23H36N4O4/c1-16(2)31-18-13-21(28)27(14-18)19(12-17-8-6-7-9-17)22(29)24-20-10-11-26(25-20)15-23(3,4)30-5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3,(H,24,25,29)
InChIKeyGHSSGOCIYLHYNO-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.35
Rot. Bonds10

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

3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide (PubChem CID 66899088) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
PubChem CID66899088
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Name3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide
SMILESCOC(C)(C)Cn1ccc(NC(=O)C(CC2CCCC2)N2CC(OC(C)C)=CC2=O)n1
InChIInChI=1S/C23H36N4O4/c1-16(2)31-18-13-21(28)27(14-18)19(12-17-8-6-7-9-17)22(29)24-20-10-11-26(25-20)15-23(3,4)30-5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3,(H,24,25,29)
InChIKeyGHSSGOCIYLHYNO-UHFFFAOYSA-N
XLogP3.35
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[3-[[(2S)-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanoyl]amino]pyrazol-1-yl]-2-methylpentan-2-yl] carbamate
CID 151948623
3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 66898726
2-[3-(3-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899118
(2S)-2-[3-(2-butylphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899900
3-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67504742
3-cyclohexyl-2-[3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67504740
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
2-[3-(2-chloro-3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclopentyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide
CID 66899999
2-[3-(2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]-3-(oxan-2-yl)propanamide
CID 66899399
(2S)-3-cyclopentyl-2-(3-oxo-1H-isoindol-2-yl)-N-[1-(2-propan-2-yloxyethyl)pyrazol-3-yl]propanamide
CID 70674450
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 66899398
2-[3-(3-chloro-2,6-difluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2,3-dihydroxypropyl)pyrazol-3-yl]propanamide;hydrochloride
CID 66899580

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide (CID 66899088) is 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide is COC(C)(C)Cn1ccc(NC(=O)C(CC2CCCC2)N2CC(OC(C)C)=CC2=O)n1.
What is the InChIKey of 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide?
The InChIKey is GHSSGOCIYLHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4/c1-16(2)31-18-13-21(28)27(14-18)19(12-17-8-6-7-9-17)22(29)24-20-10-11-26(25-20)15-23(3,4)30-5/h10-11,13,16-17,19H,6-9,12,14-15H2,1-5H3,(H,24,25,29).
What are the key properties of 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide?
3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(2-methoxy-2-methylpropyl)pyrazol-3-yl]-2-(5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl)propanamide is sourced from PubChem (CID 66899088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).