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

C17H22N4O2 — CID 110336353

IUPAC[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1
InChIInChI=1S/C17H22N4O2/c1-19-7-9-21(10-8-19)17(22)15-12-16(20(2)18-15)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyLIACALYPYZYTJW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds3

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

[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 110336353) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID110336353
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1
InChIInChI=1S/C17H22N4O2/c1-19-7-9-21(10-8-19)17(22)15-12-16(20(2)18-15)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyLIACALYPYZYTJW-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(4-methoxyphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]ethanone
CID 110336273
5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
(4-methylpiperazin-1-yl)-[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanone
CID 110336479
[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 110391856
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
CID 57246578
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 42877209
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 110336353) is [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(-c2cc(C(=O)N3CCN(C)CC3)nn2C)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LIACALYPYZYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19-7-9-21(10-8-19)17(22)15-12-16(20(2)18-15)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 314.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 110336353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).