4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

C19H22N6O3 — CID 146069852

IUPAC4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1ccc(-c2[nH]ncc2CN2CCNC(=O)C2Cc2nc(C)no2)cc1
InChIInChI=1S/C19H22N6O3/c1-12-22-17(28-24-12)9-16-19(26)20-7-8-25(16)11-14-10-21-23-18(14)13-3-5-15(27-2)6-4-13/h3-6,10,16H,7-9,11H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyQDHJUICTJHHWPS-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.32
Rot. Bonds6

About 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one

4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 146069852) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID146069852
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESCOc1ccc(-c2[nH]ncc2CN2CCNC(=O)C2Cc2nc(C)no2)cc1
InChIInChI=1S/C19H22N6O3/c1-12-22-17(28-24-12)9-16-19(26)20-7-8-25(16)11-14-10-21-23-18(14)13-3-5-15(27-2)6-4-13/h3-6,10,16H,7-9,11H2,1-2H3,(H,20,26)(H,21,23)
InChIKeyQDHJUICTJHHWPS-UHFFFAOYSA-N
XLogP1.32
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1,3-dimethylpyrazol-4-yl)methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069840
(8aR,11aS)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201594
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]acetamide
CID 24791239
(3aR,6aR)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one;hydrochloride
CID 154922342
(3S)-4-[(2,5-dimethoxyphenyl)methyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812166
7-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-oxa-7-azaspiro[3.5]nonane
CID 135106659
4-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-pyrazole
CID 128978591
4-(3-methoxyphenyl)sulfonyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 146069964
2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907591
4-[1-[[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 50809425
(4S)-5-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95190130
ethyl 2-[4-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]morpholin-3-yl]acetate
CID 45189758

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 146069852) is 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is COc1ccc(-c2[nH]ncc2CN2CCNC(=O)C2Cc2nc(C)no2)cc1.
What is the InChIKey of 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is QDHJUICTJHHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-22-17(28-24-12)9-16-19(26)20-7-8-25(16)11-14-10-21-23-18(14)13-3-5-15(27-2)6-4-13/h3-6,10,16H,7-9,11H2,1-2H3,(H,20,26)(H,21,23).
What are the key properties of 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 382.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 146069852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).