3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

C17H24N4O3 — CID 66898726

IUPAC3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOC1=CC(=O)N(C(CC2CCCC2)C(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C17H24N4O3/c1-20-8-7-15(19-20)18-17(23)14(9-12-5-3-4-6-12)21-11-13(24-2)10-16(21)22/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,18,19,23)
InChIKeyDNYHILJNEBZKDU-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.68
Rot. Bonds6

About 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 66898726) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID66898726
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCOC1=CC(=O)N(C(CC2CCCC2)C(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C17H24N4O3/c1-20-8-7-15(19-20)18-17(23)14(9-12-5-3-4-6-12)21-11-13(24-2)10-16(21)22/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,18,19,23)
InChIKeyDNYHILJNEBZKDU-UHFFFAOYSA-N
XLogP1.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
2-[3-(2-chloro-6-fluorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 66899398
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
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
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
(2S)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 67312887
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
(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride
CID 67504757
2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67773813
N-[1-[(3-cyanophenyl)methyl]-4-iodopyrazol-3-yl]-3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)propanamide
CID 67504249
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 66898726) is 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide is COC1=CC(=O)N(C(CC2CCCC2)C(=O)Nc2ccn(C)n2)C1.
What is the InChIKey of 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is DNYHILJNEBZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-8-7-15(19-20)18-17(23)14(9-12-5-3-4-6-12)21-11-13(24-2)10-16(21)22/h7-8,10,12,14H,3-6,9,11H2,1-2H3,(H,18,19,23).
What are the key properties of 3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-cyclopentyl-2-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 66898726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).