2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide

C22H27ClN4O4 — CID 129016863

IUPAC2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(CCCO)n1)N1CC(Oc2ccccc2Cl)=CC1=O
InChIInChI=1S/C22H27ClN4O4/c1-15(2)12-18(22(30)24-20-8-10-26(25-20)9-5-11-28)27-14-16(13-21(27)29)31-19-7-4-3-6-17(19)23/h3-4,6-8,10,13,15,18,28H,5,9,11-12,14H2,1-2H3,(H,24,25,30)
InChIKeyWOEPDAVWINCJHH-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.08
Rot. Bonds10

About 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide

2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide (PubChem CID 129016863) has the molecular formula C22H27ClN4O4 and a molecular weight of 446.94 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide
PubChem CID129016863
Molecular FormulaC22H27ClN4O4
Molecular Weight446.94 g/mol
Exact Mass446.17
IUPAC Name2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(CCCO)n1)N1CC(Oc2ccccc2Cl)=CC1=O
InChIInChI=1S/C22H27ClN4O4/c1-15(2)12-18(22(30)24-20-8-10-26(25-20)9-5-11-28)27-14-16(13-21(27)29)31-19-7-4-3-6-17(19)23/h3-4,6-8,10,13,15,18,28H,5,9,11-12,14H2,1-2H3,(H,24,25,30)
InChIKeyWOEPDAVWINCJHH-UHFFFAOYSA-N
XLogP3.08
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[3-(2-hydroxypropan-2-yloxy)propyl]pyrazol-3-yl]-4-methylhexanamide
CID 143878691
calcium bis((3R,5S)-6-[3-[[(2S)-2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoyl]amino]pyrazol-1-yl]-3,5-dihydroxyhexanoate)
CID 141246937
(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide;hydrochloride
CID 67504757
3-(2-chlorophenoxy)-1-[(3S)-1-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-3-yl]-5-methyl-2-oxohexan-3-yl]-2H-pyrrol-5-one
CID 160690807
(2S)-2-[3-(2,3-dichlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methyl-N-(1-methylpyrrol-3-yl)pentanamide
CID 141246912
3-cyclohexyl-2-[3-(2-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-N-(1-propylpyrazol-3-yl)propanamide
CID 67504582
2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-4-methylsulfanylbutanamide
CID 66899624
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)-2-[3-(2-butylphenoxy)-5-oxo-2H-pyrrol-1-yl]-3-cyclohexyl-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 66899900
2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-3-phenylpropanoic acid
CID 66894953
3-cyclopentyl-2-[4-(2,3-dichlorophenoxy)-6-oxopyridazin-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]propanamide
CID 143878459
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(4-indol-1-yl-6-oxopyridazin-1-yl)-4-methylpentanamide
CID 143878434

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide?
The IUPAC name of 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide (CID 129016863) is 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide?
The canonical SMILES for 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide is CC(C)CC(C(=O)Nc1ccn(CCCO)n1)N1CC(Oc2ccccc2Cl)=CC1=O.
What is the InChIKey of 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide?
The InChIKey is WOEPDAVWINCJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4/c1-15(2)12-18(22(30)24-20-8-10-26(25-20)9-5-11-28)27-14-16(13-21(27)29)31-19-7-4-3-6-17(19)23/h3-4,6-8,10,13,15,18,28H,5,9,11-12,14H2,1-2H3,(H,24,25,30).
What are the key properties of 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide?
2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide has a molecular weight of 446.94 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)-5-oxo-2H-pyrrol-1-yl]-N-[1-(3-hydroxypropyl)pyrazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 129016863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).