[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C17H22N4O2 — CID 110373058

IUPAC[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-13-12-16(17(22)20-10-8-19(2)9-11-20)18-21(13)14-4-6-15(23-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyNSABOYYCUSYMHI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.58
Rot. Bonds3

About [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 110373058) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID110373058
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-13-12-16(17(22)20-10-8-19(2)9-11-20)18-21(13)14-4-6-15(23-3)7-5-14/h4-7,12H,8-11H2,1-3H3
InChIKeyNSABOYYCUSYMHI-UHFFFAOYSA-N
XLogP1.58
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
2-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 139010435
1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367110
[1-(6-methoxy-3-pyridinyl)-5-(4-methylphenyl)pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23090599
(3aS,7aS)-2-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120626925
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 75387303
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 110373058) is [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)cc2C)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NSABOYYCUSYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-12-16(17(22)20-10-8-19(2)9-11-20)18-21(13)14-4-6-15(23-3)7-5-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).