2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C22H21ClN4O4 — CID 73340853

IUPAC2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN1C=CN2NC(c3ccc(Cl)cc3)CC2C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21ClN4O4/c23-15-3-1-14(2-4-15)17-12-18-22(29)26(7-8-27(18)25-17)13-21(28)24-16-5-6-19-20(11-16)31-10-9-30-19/h1-8,11,17-18,25H,9-10,12-13H2,(H,24,28)
InChIKeyJOCXJPLPMJGRRE-UHFFFAOYSA-N
MW440.89 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 73340853) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID73340853
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CN1C=CN2NC(c3ccc(Cl)cc3)CC2C1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21ClN4O4/c23-15-3-1-14(2-4-15)17-12-18-22(29)26(7-8-27(18)25-17)13-21(28)24-16-5-6-19-20(11-16)31-10-9-30-19/h1-8,11,17-18,25H,9-10,12-13H2,(H,24,28)
InChIKeyJOCXJPLPMJGRRE-UHFFFAOYSA-N
XLogP2.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 75550520
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73338614
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(4-bromo-2-fluorophenyl)acetamide
CID 75550532
2-[2-(4-butoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 73327670
N-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 84822184
N-(3-methoxyphenyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 73340652
N-(4-chlorophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434739
N-(4-chlorophenyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9434741
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113201580
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 55355597
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]acetamide
CID 110370533
2-(4-chlorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 73340879

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 73340853) is 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CN1C=CN2NC(c3ccc(Cl)cc3)CC2C1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JOCXJPLPMJGRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c23-15-3-1-14(2-4-15)17-12-18-22(29)26(7-8-27(18)25-17)13-21(28)24-16-5-6-19-20(11-16)31-10-9-30-19/h1-8,11,17-18,25H,9-10,12-13H2,(H,24,28).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 440.89 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 73340853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).